File: test.log

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clipper 2.1.20130601-2
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file content (2510 lines) | stat: -rw-r--r-- 95,111 bytes
parent folder | download | duplicates (5)
Enter spacegroup: 1 1 1 P 1
0: x, y, z
 Cell (   100,   100,   100,    90,    90,    90)
Vol1e+06
Orth mat
|       100, 6.123e-15, 6.123e-15|
|         0,       100, 1.608e-14|
|         0,         0,       100|
Frac mat
|      0.01,-6.123e-19,-6.123e-19|
|         0,      0.01,-1.608e-18|
|         0,         0,      0.01|
Prod mat
|         1, 1.661e-33,         0|
|         0,         1, 4.622e-33|
|         0,         0,         1|
Real metric m00= 10000 m11= 10000 m22= 10000 m01=1.22461e-12 m02=1.22461e-12 m12=1.22461e-12
Reci metric m00=0.0001 m11=0.0001 m22=0.0001 m01=-3.21629e-20 m02=-3.21629e-20 m12=-3.21629e-20
1 1 1 P 1
0: x, y, z
/spgr
/spgr/cell
/spgr/cell/hkl
/spgr/cell/hkl/myfphi
/spgr/cell/hkl/myfphi2
/spgr/cell/hkl/myfsig
/spgr/cell2
F_phi
F_sigF
1 0
0=0
1=1
2=2
3=3
4=4
5=5
6=6
7=7
8=8
9=9
10=10
11=11
12=12
13=13
14=14
15=15
16=16
17=17
18=18
19=19
20=20
21=21
22=22
23=23
24=24
25=25
26=26
27=27
28=28
29=29
30=30
31=31
32=32
33=33
34=34
35=35
36=36
37=37
38=38
39=39
40=40
41=41
42=42
43=43
44=44
45=45
46=46
47=47
48=48
49=49
50=50
51=51
52=52
53=53
54=54
55=55
56=56
57=57
58=58
59=59
60=60
61=61
62=62
63=63
64=64
65=65
66=66
67=67
68=68
69=69
70=70
71=71
72=72
73=73
74=74
75=75
76=76
77=77
78=78
79=79
80=80
81=81
82=82
83=83
84=84
85=85
86=86
87=87
88=88
89=89
90=90
91=91
92=92
93=93
94=94
95=95
96=96
97=97
98=98
99=99
100=100
101=101
102=102
103=103
104=104
105=105
106=106
107=107
108=108
109=109
110=110
111=111
112=112
113=113
114=114
115=115
116=116
117=117
118=118
119=119
120=120
121=121
122=122
123=123
124=124
125=125
126=126
127=127
128=128
129=129
130=130
131=131
132=132
133=133
134=134
135=135
136=136
137=137
138=138
139=139
140=140
141=141
142=142
143=143
144=144
145=145
146=146
147=147
148=148
149=149
150=150
151=151
152=152
153=153
154=154
155=155
156=156
157=157
158=158
159=159
160=160
161=161
162=162
163=163
164=164
165=165
166=166
167=167
168=168
169=169
170=170
171=171
172=172
173=173
174=174
175=175
176=176
177=177
178=178
179=179
180=180
181=181
182=182
183=183
184=184
185=185
186=186
187=187
188=188
189=189
190=190
191=191
192=192
193=193
194=194
195=195
196=196
197=197
198=198
199=199
200=200
201=201
202=202
203=203
204=204
205=205
206=206
207=207
208=208
209=209
210=210
211=211
212=212
213=213
214=214
215=215
216=216
217=217
218=218
219=219
220=220
221=221
222=222
223=223
224=224
225=225
226=226
227=227
228=228
229=229
230=230
231=231
232=232
233=233
234=234
235=235
236=236
237=237
238=238
239=239
240=240
241=241
242=242
243=243
244=244
245=245
246=246
247=247
248=248
249=249
250=250
251=251
252=252
253=253
254=254
255=255
256=256
257=257
 (-1,-1,-1)  155 45.0001
 (-1,-1,0)  154 197.999
 (-1,-1,1)  70 270
 (-1,0,-1)  150 90.0006
 (-1,0,0)  149 242.999
 (-1,0,1)  74 161.999
 (-1,1,-1)  145 135.001
 (-1,1,0)  144 288
 (-1,1,1)  78 53.9993
 (0,-1,-1)  113 351
 (0,-1,0)  112 144.001
 (0,-1,1)  102 126
 (0,0,-1)  107 189
 (0,0,0)  106 0
 (0,0,1)  107 171
 (0,1,-1)  102 234
 (0,1,0)  112 215.999
 (0,1,1)  113 8.99976
 (1,-1,-1)  78 306.001
 (1,-1,0)  144 72.0001
 (1,-1,1)  145 224.999
 (1,0,-1)  74 198.001
 (1,0,0)  149 117.001
 (1,0,1)  150 269.999
 (1,1,-1)  70 90
 (1,1,0)  154 162.001
 (1,1,1)  155 315
done fft
uvw = (  -1,  -1,  -1)	-3.16612e-05	-3.16613e-05
uvw = (  -1,  -1,   0)	-0.000104835	-0.000104835
uvw = (  -1,  -1,   1)	1.51866e-05	1.51866e-05
uvw = (  -1,   0,  -1)	0.000374181	0.000374181
uvw = (  -1,   0,   0)	0.00023289	0.00023289
uvw = (  -1,   0,   1)	0.000587745	0.000587745
uvw = (  -1,   1,  -1)	0.000230567	0.000230567
uvw = (  -1,   1,   0)	0.000489013	0.000489012
uvw = (  -1,   1,   1)	0.0011978	0.0011978
uvw = (   0,  -1,  -1)	-0.000115736	-0.000115736
uvw = (   0,  -1,   0)	-6.31672e-05	-6.31673e-05
uvw = (   0,  -1,   1)	-0.000108562	-0.000108562
uvw = (   0,   0,  -1)	6.55511e-05	6.55509e-05
uvw = (   0,   0,   0)	4.99224e-06	4.99201e-06
uvw = (   0,   0,   1)	7.20415e-05	7.20411e-05
uvw = (   0,   1,  -1)	-0.000179149	-0.000179149
uvw = (   0,   1,   0)	1.37099e-05	1.37099e-05
uvw = (   0,   1,   1)	0.000200556	0.000200556
uvw = (   1,  -1,  -1)	-2.57529e-05	-2.57529e-05
uvw = (   1,  -1,   0)	2.08098e-06	2.08108e-06
uvw = (   1,  -1,   1)	-0.000294783	-0.000294783
uvw = (   1,   0,  -1)	6.13012e-06	6.13022e-06
uvw = (   1,   0,   0)	-0.000255008	-0.000255008
uvw = (   1,   0,   1)	-0.00064435	-0.00064435
uvw = (   1,   1,  -1)	-0.000247825	-0.000247825
uvw = (   1,   1,   0)	-0.000568218	-0.000568218
uvw = (   1,   1,   1)	-0.00109497	-0.00109497
HKL = (  -4,  -2,   1)	(0.0640779,0.33456)	(0.0640779,0.33456)
HKL = (  -4,  -2,   2)	(0.0200639,0.322226)	(0.0200639,0.322226)
HKL = (  -4,  -1,   1)	(0.00126884,0.363114)	(0.00126883,0.363114)
HKL = (  -4,  -1,   2)	(-0.0442872,0.343186)	(-0.0442872,0.343186)
HKL = (  -4,   0,   1)	(-0.0611855,0.375334)	(-0.0611855,0.375334)
HKL = (  -4,   0,   2)	(-0.106216,0.348234)	(-0.106216,0.348234)
HKL = (  -4,   0,   3)	(-0.14473,0.303543)	(-0.14473,0.303543)
HKL = (  -4,   1,   1)	(-0.119029,0.370386)	(-0.119029,0.370386)
HKL = (  -4,   1,   2)	(-0.161502,0.337028)	(-0.161502,0.337028)
HKL = (  -4,   2,   1)	(-0.168319,0.348608)	(-0.168319,0.348608)
HKL = (  -4,   2,   2)	(-0.206378,0.31033)	(-0.206378,0.31033)
HKL = (  -3,  -3,   1)	(0.101971,0.226669)	(0.101971,0.226669)
HKL = (  -3,  -3,   2)	(0.0706926,0.221841)	(0.0706926,0.221841)
HKL = (  -3,  -2,   1)	(0.0512536,0.264649)	(0.0512536,0.264649)
HKL = (  -3,  -2,   2)	(0.0166266,0.253552)	(0.0166266,0.253552)
HKL = (  -3,  -2,   3)	(-0.0179174,0.229515)	(-0.0179174,0.229515)
HKL = (  -3,  -1,   1)	(-0.00204337,0.291296)	(-0.00204337,0.291296)
HKL = (  -3,  -1,   2)	(-0.0385663,0.27377)	(-0.0385663,0.27377)
HKL = (  -3,  -1,   3)	(-0.0723114,0.242368)	(-0.0723114,0.242368)
HKL = (  -3,   0,   1)	(-0.054288,0.304794)	(-0.054288,0.304794)
HKL = (  -3,   0,   2)	(-0.0911248,0.281116)	(-0.0911248,0.281116)
HKL = (  -3,   0,   3)	(-0.122682,0.243295)	(-0.122682,0.243295)
HKL = (  -3,   0,   4)	(-0.146809,0.193906)	(-0.146809,0.193906)
HKL = (  -3,   1,   1)	(-0.10192,0.304224)	(-0.10192,0.304224)
HKL = (  -3,   1,   2)	(-0.137467,0.275091)	(-0.137467,0.275091)
HKL = (  -3,   1,   3)	(-0.165597,0.232232)	(-0.165597,0.232232)
HKL = (  -3,   2,   1)	(-0.141693,0.289623)	(-0.141693,0.289623)
HKL = (  -3,   2,   2)	(-0.174435,0.256105)	(-0.174435,0.256105)
HKL = (  -3,   2,   3)	(-0.198132,0.209933)	(-0.198132,0.209933)
HKL = (  -3,   3,   1)	(-0.170897,0.261989)	(-0.170897,0.261989)
HKL = (  -3,   3,   2)	(-0.199509,0.225451)	(-0.199509,0.225451)
HKL = (  -2,  -4,   1)	(0.10989,0.109328)	(0.10989,0.109328)
HKL = (  -2,  -4,   2)	(0.0939479,0.109254)	(0.0939479,0.109254)
HKL = (  -2,  -3,   1)	(0.0741914,0.145536)	(0.0741914,0.145536)
HKL = (  -2,  -3,   2)	(0.0545924,0.141459)	(0.0545924,0.141459)
HKL = (  -2,  -3,   3)	(0.0325106,0.130263)	(0.0325106,0.130263)
HKL = (  -2,  -2,   1)	(0.034806,0.176364)	(0.034806,0.176364)
HKL = (  -2,  -2,   2)	(0.0121662,0.167726)	(0.0121662,0.167726)
HKL = (  -2,  -2,   3)	(-0.0108219,0.15065)	(-0.0108219,0.15065)
HKL = (  -2,  -2,   4)	(-0.0325914,0.126299)	(-0.0325914,0.126299)
HKL = (  -2,  -1,   1)	(-0.0055822,0.199711)	(-0.00558221,0.199711)
HKL = (  -2,  -1,   2)	(-0.0304397,0.186264)	(-0.0304397,0.186264)
HKL = (  -2,  -1,   3)	(-0.0535357,0.163466)	(-0.0535357,0.163466)
HKL = (  -2,  -1,   4)	(-0.0732964,0.132868)	(-0.0732964,0.132868)
HKL = (  -2,   0,   1)	(-0.044221,0.213985)	(-0.044221,0.213985)
HKL = (  -2,   0,   2)	(-0.0703215,0.195811)	(-0.0703215,0.195811)
HKL = (  -2,   0,   3)	(-0.0927201,0.167837)	(-0.0927201,0.167837)
HKL = (  -2,   0,   4)	(-0.109891,0.13197)	(-0.109891,0.13197)
HKL = (  -2,   1,   1)	(-0.0784772,0.218215)	(-0.0784772,0.218215)
HKL = (  -2,   1,   2)	(-0.104761,0.195714)	(-0.104761,0.195714)
HKL = (  -2,   1,   3)	(-0.125705,0.163465)	(-0.125705,0.163465)
HKL = (  -2,   1,   4)	(-0.13988,0.123666)	(-0.13988,0.123666)
HKL = (  -2,   2,   1)	(-0.106016,0.212112)	(-0.106016,0.212112)
HKL = (  -2,   2,   2)	(-0.131413,0.185982)	(-0.131413,0.185982)
HKL = (  -2,   2,   3)	(-0.150242,0.150649)	(-0.150242,0.150649)
HKL = (  -2,   2,   4)	(-0.161221,0.108521)	(-0.161221,0.108521)
HKL = (  -2,   3,   1)	(-0.124961,0.196091)	(-0.124961,0.196091)
HKL = (  -2,   3,   2)	(-0.148459,0.167277)	(-0.148459,0.167277)
HKL = (  -2,   3,   3)	(-0.164659,0.130262)	(-0.164659,0.130262)
HKL = (  -2,   4,   1)	(-0.134022,0.171245)	(-0.134022,0.171245)
HKL = (  -2,   4,   2)	(-0.154738,0.140874)	(-0.154738,0.140874)
HKL = (  -1,  -4,   1)	(0.0661251,0.0301735)	(0.0661251,0.0301735)
HKL = (  -1,  -4,   2)	(0.0623983,0.0295218)	(0.0623983,0.0295218)
HKL = (  -1,  -3,   1)	(0.0415162,0.0537463)	(0.0415163,0.0537463)
HKL = (  -1,  -3,   2)	(0.0352483,0.0511187)	(0.0352483,0.0511187)
HKL = (  -1,  -3,   3)	(0.0267626,0.0461401)	(0.0267626,0.0461401)
HKL = (  -1,  -2,   1)	(0.0158561,0.0757208)	(0.0158561,0.0757208)
HKL = (  -1,  -2,   2)	(0.00698645,0.0705983)	(0.00698646,0.0705983)
HKL = (  -1,  -2,   3)	(-0.00265896,0.0620917)	(-0.00265896,0.0620917)
HKL = (  -1,  -2,   4)	(-0.0124227,0.0507807)	(-0.0124227,0.0507807)
HKL = (  -1,  -1,   1)	(-0.00910652,0.0945994)	(-0.00910653,0.0945994)
HKL = (  -1,  -1,   2)	(-0.0204611,0.0866332)	(-0.0204611,0.0866332)
HKL = (  -1,  -1,   3)	(-0.03119,0.0744296)	(-0.0311901,0.0744296)
HKL = (  -1,  -1,   4)	(-0.0405621,0.0588203)	(-0.0405621,0.0588203)
HKL = (  -1,   0,   1)	(-0.0316706,0.109096)	(-0.0316706,0.109096)
HKL = (  -1,   0,   2)	(-0.0452239,0.0981305)	(-0.0452239,0.0981305)
HKL = (  -1,   0,   3)	(-0.0568862,0.0823128)	(-0.0568862,0.0823128)
HKL = (  -1,   0,   4)	(-0.0658629,0.0627208)	(-0.0658629,0.0627208)
HKL = (  -1,   1,   1)	(-0.0502983,0.118222)	(-0.0502983,0.118222)
HKL = (  -1,   1,   2)	(-0.0656143,0.104307)	(-0.0656143,0.104307)
HKL = (  -1,   1,   3)	(-0.0779964,0.0852043)	(-0.0779965,0.0852043)
HKL = (  -1,   1,   4)	(-0.0866008,0.0622162)	(-0.0866008,0.0622161)
HKL = (  -1,   2,   1)	(-0.0637203,0.121355)	(-0.0637203,0.121355)
HKL = (  -1,   2,   2)	(-0.0802429,0.104741)	(-0.0802429,0.104741)
HKL = (  -1,   2,   3)	(-0.093082,0.0829069)	(-0.093082,0.0829069)
HKL = (  -1,   2,   4)	(-0.101363,0.0573409)	(-0.101363,0.0573409)
HKL = (  -1,   3,   1)	(-0.0710218,0.118283)	(-0.0710218,0.118283)
HKL = (  -1,   3,   2)	(-0.0881127,0.0994037)	(-0.0881127,0.0994037)
HKL = (  -1,   3,   3)	(-0.101115,0.0755771)	(-0.101115,0.0755771)
HKL = (  -1,   4,   1)	(-0.0717053,0.109215)	(-0.0717053,0.109215)
HKL = (  -1,   4,   2)	(-0.0886873,0.0886586)	(-0.0886873,0.0886586)
HKL = (   0,  -4,   1)	(0.0183406,-0.0521234)	(0.0183406,-0.0521234)
HKL = (   0,  -4,   2)	(0.0274487,-0.0529662)	(0.0274487,-0.0529662)
HKL = (   0,  -4,   3)	(0.0340313,-0.0506281)	(0.0340313,-0.0506281)
HKL = (   0,  -3,   1)	(0.0061722,-0.0424439)	(0.0061722,-0.0424439)
HKL = (   0,  -3,   2)	(0.0139784,-0.0430251)	(0.0139784,-0.0430251)
HKL = (   0,  -3,   3)	(0.0199409,-0.0410243)	(0.0199409,-0.0410243)
HKL = (   0,  -3,   4)	(0.0236533,-0.0365779)	(0.0236533,-0.0365779)
HKL = (   0,  -2,   1)	(-0.00430473,-0.0304211)	(-0.00430474,-0.0304211)
HKL = (   0,  -2,   2)	(0.00144047,-0.0312129)	(0.00144047,-0.0312129)
HKL = (   0,  -2,   3)	(0.00601503,-0.0301252)	(0.00601504,-0.0301252)
HKL = (   0,  -2,   4)	(0.00910731,-0.027232)	(0.0091073,-0.027232)
HKL = (   0,  -1,   1)	(-0.0123761,-0.0168743)	(-0.0123761,-0.0168743)
HKL = (   0,  -1,   2)	(-0.00931068,-0.0183346)	(-0.00931067,-0.0183346)
HKL = (   0,  -1,   3)	(-0.00679713,-0.0186735)	(-0.00679713,-0.0186735)
HKL = (   0,  -1,   4)	(-0.00500669,-0.017868)	(-0.00500669,-0.017868)
HKL = (   0,   0,   0)	(-0.0174748,-0)	(-0.0174748,0)
HKL = (   0,   0,   1)	(-0.017492,-0.00272674)	(-0.017492,-0.00272674)
HKL = (   0,   0,   2)	(-0.0175423,-0.00526766)	(-0.0175423,-0.00526765)
HKL = (   0,   0,   3)	(-0.0176225,-0.00744959)	(-0.0176225,-0.00744959)
HKL = (   0,   0,   4)	(-0.0177269,-0.00912385)	(-0.0177269,-0.00912385)
HKL = (   0,   0,   5)	(-0.0178485,-0.0101763)	(-0.0178485,-0.0101763)
HKL = (   0,   1,   0)	(-0.0157845,0.0143922)	(-0.0157845,0.0143922)
HKL = (   0,   1,   1)	(-0.0193036,0.0110575)	(-0.0193036,0.0110575)
HKL = (   0,   1,   2)	(-0.0226935,0.0070973)	(-0.0226935,0.0070973)
HKL = (   0,   1,   3)	(-0.0257233,0.00278157)	(-0.0257233,0.00278157)
HKL = (   0,   1,   4)	(-0.0281864,-0.00159555)	(-0.0281865,-0.00159556)
HKL = (   0,   2,   0)	(-0.0108289,0.0278036)	(-0.0108289,0.0278036)
HKL = (   0,   2,   1)	(-0.0176875,0.0235389)	(-0.0176876,0.0235389)
HKL = (   0,   2,   2)	(-0.0244132,0.0179176)	(-0.0244132,0.0179176)
HKL = (   0,   2,   3)	(-0.0305475,0.0113228)	(-0.0305475,0.0113228)
HKL = (   0,   2,   4)	(-0.0356725,0.00420388)	(-0.0356725,0.00420388)
HKL = (   0,   3,   0)	(-0.00294569,0.0393203)	(-0.0029457,0.0393203)
HKL = (   0,   3,   1)	(-0.012754,0.0338671)	(-0.012754,0.0338671)
HKL = (   0,   3,   2)	(-0.0225842,0.026456)	(-0.0225842,0.026456)
HKL = (   0,   3,   3)	(-0.0317664,0.017592)	(-0.0317664,0.017592)
HKL = (   0,   3,   4)	(-0.039675,0.00787923)	(-0.039675,0.00787924)
HKL = (   0,   4,   0)	(0.00732789,0.0481573)	(0.00732789,0.0481573)
HKL = (   0,   4,   1)	(-0.0048391,0.041338)	(-0.00483909,0.041338)
HKL = (   0,   4,   2)	(-0.0173311,0.0321304)	(-0.0173311,0.0321304)
HKL = (   0,   4,   3)	(-0.0292969,0.0211619)	(-0.0292969,0.0211619)
HKL = (   0,   5,   0)	(0.0192918,0.0537125)	(0.0192918,0.0537125)
HKL = (   1,  -4,   0)	(-0.0517588,-0.123982)	(-0.0517588,-0.123982)
HKL = (   1,  -4,   1)	(-0.0302072,-0.131955)	(-0.0302073,-0.131955)
HKL = (   1,  -4,   2)	(-0.00851927,-0.132588)	(-0.00851927,-0.132588)
HKL = (   1,  -3,   0)	(-0.0510069,-0.130929)	(-0.0510069,-0.130929)
HKL = (   1,  -3,   1)	(-0.0294321,-0.13648)	(-0.0294321,-0.13648)
HKL = (   1,  -3,   2)	(-0.00776763,-0.134556)	(-0.00776764,-0.134556)
HKL = (   1,  -3,   3)	(0.0125101,-0.12529)	(0.0125101,-0.12529)
HKL = (   1,  -2,   0)	(-0.04464,-0.131618)	(-0.04464,-0.131618)
HKL = (   1,  -2,   1)	(-0.0243026,-0.134829)	(-0.0243026,-0.134829)
HKL = (   1,  -2,   2)	(-0.00409383,-0.130769)	(-0.00409383,-0.130769)
HKL = (   1,  -2,   3)	(0.014609,-0.119716)	(0.014609,-0.119716)
HKL = (   1,  -2,   4)	(0.0305314,-0.102423)	(0.0305314,-0.102423)
HKL = (   1,  -1,   0)	(-0.033092,-0.126001)	(-0.033092,-0.126001)
HKL = (   1,  -1,   1)	(-0.0151682,-0.127114)	(-0.0151682,-0.127114)
HKL = (   1,  -1,   2)	(0.00225176,-0.121485)	(0.00225176,-0.121485)
HKL = (   1,  -1,   3)	(0.0179807,-0.109498)	(0.0179807,-0.109498)
HKL = (   1,  -1,   4)	(0.0309467,-0.0919704)	(0.0309467,-0.0919703)
HKL = (   1,   0,   0)	(-0.0171499,-0.114461)	(-0.0171499,-0.114461)
HKL = (   1,   0,   1)	(-0.00265146,-0.113861)	(-0.00265146,-0.113861)
HKL = (   1,   0,   2)	(0.0108367,-0.107337)	(0.0108367,-0.107337)
HKL = (   1,   0,   3)	(0.0223954,-0.0953331)	(0.0223954,-0.0953331)
HKL = (   1,   0,   4)	(0.0312369,-0.0786673)	(0.0312369,-0.0786673)
HKL = (   1,   1,   0)	(0.00210002,-0.0977855)	(0.00210001,-0.0977855)
HKL = (   1,   1,   1)	(0.0123947,-0.0959742)	(0.0123947,-0.0959743)
HKL = (   1,   1,   2)	(0.021076,-0.0892891)	(0.021076,-0.0892891)
HKL = (   1,   1,   3)	(0.0275523,-0.0781857)	(0.0275523,-0.0781857)
HKL = (   1,   1,   4)	(0.0313823,-0.0634206)	(0.0313823,-0.0634206)
HKL = (   1,   2,   0)	(0.0233458,-0.07711)	(0.0233458,-0.07711)
HKL = (   1,   2,   1)	(0.0289448,-0.0746714)	(0.0289448,-0.0746714)
HKL = (   1,   2,   2)	(0.0322718,-0.068571)	(0.0322718,-0.068571)
HKL = (   1,   2,   3)	(0.0331,-0.0592246)	(0.0331,-0.0592246)
HKL = (   1,   2,   4)	(0.0313729,-0.0472692)	(0.0313729,-0.0472692)
HKL = (   1,   3,   0)	(0.0451395,-0.0538438)	(0.0451395,-0.0538438)
HKL = (   1,   3,   1)	(0.0458711,-0.0514045)	(0.0458711,-0.0514045)
HKL = (   1,   3,   2)	(0.0436612,-0.0465947)	(0.0436612,-0.0465947)
HKL = (   1,   3,   3)	(0.0386603,-0.0397422)	(0.0386603,-0.0397422)
HKL = (   1,   4,   0)	(0.0659961,-0.0295723)	(0.0659961,-0.0295723)
HKL = (   1,   4,   1)	(0.06202,-0.0277593)	(0.06202,-0.0277593)
HKL = (   1,   4,   2)	(0.0544679,-0.0248579)	(0.0544679,-0.0248579)
HKL = (   2,  -4,   0)	(-0.107237,-0.192735)	(-0.107237,-0.192735)
HKL = (   2,  -4,   1)	(-0.0762101,-0.20388)	(-0.0762101,-0.203879)
HKL = (   2,  -4,   2)	(-0.0430544,-0.203919)	(-0.0430544,-0.203919)
HKL = (   2,  -3,   0)	(-0.0957689,-0.21474)	(-0.0957689,-0.21474)
HKL = (   2,  -3,   1)	(-0.0628704,-0.221952)	(-0.0628704,-0.221952)
HKL = (   2,  -3,   2)	(-0.0285079,-0.217237)	(-0.0285079,-0.217237)
HKL = (   2,  -3,   3)	(0.0049768,-0.200915)	(0.0049768,-0.200916)
HKL = (   2,  -2,   0)	(-0.0757835,-0.227257)	(-0.0757834,-0.227257)
HKL = (   2,  -2,   1)	(-0.0427747,-0.230386)	(-0.0427747,-0.230386)
HKL = (   2,  -2,   2)	(-0.0092393,-0.221286)	(-0.00923928,-0.221286)
HKL = (   2,  -2,   3)	(0.0225373,-0.200576)	(0.0225373,-0.200576)
HKL = (   2,  -2,   4)	(0.0503895,-0.169668)	(0.0503895,-0.169668)
HKL = (   2,  -1,   0)	(-0.0486431,-0.229434)	(-0.0486431,-0.229434)
HKL = (   2,  -1,   1)	(-0.0172925,-0.228607)	(-0.0172925,-0.228607)
HKL = (   2,  -1,   2)	(0.0134382,-0.215789)	(0.0134383,-0.215789)
HKL = (   2,  -1,   3)	(0.0414548,-0.191856)	(0.0414548,-0.191856)
HKL = (   2,  -1,   4)	(0.064848,-0.158437)	(0.064848,-0.158437)
HKL = (   2,   0,   0)	(-0.0161973,-0.221122)	(-0.0161973,-0.221122)
HKL = (   2,   0,   1)	(0.0118396,-0.216735)	(0.0118396,-0.216735)
HKL = (   2,   0,   2)	(0.0379793,-0.201122)	(0.0379793,-0.201122)
HKL = (   2,   0,   3)	(0.0604403,-0.175349)	(0.0604403,-0.175349)
HKL = (   2,   0,   4)	(0.0776919,-0.14117)	(0.0776919,-0.14117)
HKL = (   2,   1,   0)	(0.0193427,-0.202888)	(0.0193427,-0.202888)
HKL = (   2,   1,   1)	(0.0426364,-0.195579)	(0.0426364,-0.195579)
HKL = (   2,   1,   2)	(0.0627115,-0.178284)	(0.0627115,-0.178284)
HKL = (   2,   1,   3)	(0.0781998,-0.15218)	(0.0781998,-0.15218)
HKL = (   2,   1,   4)	(0.088046,-0.119046)	(0.088046,-0.119046)
HKL = (   2,   2,   0)	(0.055555,-0.175974)	(0.055555,-0.175974)
HKL = (   2,   2,   1)	(0.072999,-0.166583)	(0.072999,-0.166583)
HKL = (   2,   2,   2)	(0.0859492,-0.148831)	(0.0859492,-0.148831)
HKL = (   2,   2,   3)	(0.0935231,-0.123928)	(0.0935231,-0.123928)
HKL = (   2,   2,   4)	(0.0952046,-0.0935706)	(0.0952046,-0.0935706)
HKL = (   2,   3,   0)	(0.0899718,-0.142214)	(0.0899718,-0.142214)
HKL = (   2,   3,   1)	(0.100858,-0.13172)	(0.100858,-0.13172)
HKL = (   2,   3,   2)	(0.106109,-0.11477)	(0.106109,-0.11477)
HKL = (   2,   3,   3)	(0.105366,-0.0925182)	(0.105366,-0.0925182)
HKL = (   2,   4,   0)	(0.120248,-0.103909)	(0.120248,-0.103909)
HKL = (   2,   4,   1)	(0.124316,-0.0933683)	(0.124316,-0.0933683)
HKL = (   2,   4,   2)	(0.121817,-0.0784228)	(0.121817,-0.0784229)
HKL = (   3,  -4,   0)	(-0.155327,-0.249731)	(-0.155327,-0.249731)
HKL = (   3,  -3,   0)	(-0.134181,-0.285041)	(-0.134181,-0.285041)
HKL = (   3,  -3,   1)	(-0.0918638,-0.293037)	(-0.0918638,-0.293037)
HKL = (   3,  -3,   2)	(-0.046829,-0.285433)	(-0.046829,-0.285433)
HKL = (   3,  -2,   0)	(-0.102137,-0.308205)	(-0.102137,-0.308205)
HKL = (   3,  -2,   1)	(-0.0584621,-0.310582)	(-0.0584621,-0.310582)
HKL = (   3,  -2,   2)	(-0.0136453,-0.296595)	(-0.0136452,-0.296595)
HKL = (   3,  -2,   3)	(0.0292595,-0.267194)	(0.0292595,-0.267194)
HKL = (   3,  -1,   0)	(-0.061378,-0.317643)	(-0.061378,-0.317643)
HKL = (   3,  -1,   1)	(-0.0186042,-0.314436)	(-0.0186042,-0.314436)
HKL = (   3,  -1,   2)	(0.0234864,-0.29482)	(0.0234865,-0.29482)
HKL = (   3,  -1,   3)	(0.0620256,-0.260133)	(0.0620256,-0.260133)
HKL = (   3,   0,   0)	(-0.0146821,-0.312714)	(-0.0146821,-0.312714)
HKL = (   3,   0,   1)	(0.0249937,-0.304336)	(0.0249937,-0.304336)
HKL = (   3,   0,   2)	(0.0620357,-0.280232)	(0.0620357,-0.280232)
HKL = (   3,   0,   3)	(0.0939194,-0.242043)	(0.0939194,-0.242043)
HKL = (   3,   0,   4)	(0.118472,-0.192373)	(0.118472,-0.192373)
HKL = (   3,   1,   0)	(0.0347685,-0.293752)	(0.0347685,-0.293752)
HKL = (   3,   1,   1)	(0.0693605,-0.28097)	(0.0693605,-0.28097)
HKL = (   3,   1,   2)	(0.0993754,-0.253822)	(0.0993754,-0.253822)
HKL = (   3,   1,   3)	(0.122768,-0.214158)	(0.122768,-0.214158)
HKL = (   3,   2,   0)	(0.0836039,-0.26205)	(0.0836039,-0.26205)
HKL = (   3,   2,   1)	(0.111473,-0.245931)	(0.111473,-0.245931)
HKL = (   3,   2,   2)	(0.132961,-0.217392)	(0.132961,-0.217392)
HKL = (   3,   2,   3)	(0.146604,-0.178377)	(0.146604,-0.178377)
HKL = (   3,   3,   0)	(0.128496,-0.219768)	(0.128496,-0.219768)
HKL = (   3,   3,   1)	(0.14846,-0.201607)	(0.14846,-0.201607)
HKL = (   3,   3,   2)	(0.160503,-0.173424)	(0.160503,-0.173424)
HKL = (   3,   4,   0)	(0.166385,-0.169788)	(0.166385,-0.169788)
HKL = (   4,  -3,   0)	(-0.163626,-0.337041)	(-0.163626,-0.337041)
HKL = (   4,  -2,   0)	(-0.121904,-0.368944)	(-0.121904,-0.368944)
HKL = (   4,  -2,   1)	(-0.0702958,-0.369952)	(-0.0702958,-0.369952)
HKL = (   4,  -2,   2)	(-0.0170114,-0.351563)	(-0.0170114,-0.351563)
HKL = (   4,  -1,   0)	(-0.0704287,-0.384618)	(-0.0704287,-0.384618)
HKL = (   4,  -1,   1)	(-0.0190139,-0.378753)	(-0.0190139,-0.378753)
HKL = (   4,  -1,   2)	(0.0317116,-0.353192)	(0.0317116,-0.353192)
HKL = (   4,   0,   0)	(-0.0127074,-0.382995)	(-0.0127074,-0.382995)
HKL = (   4,   0,   1)	(0.0359144,-0.370695)	(0.0359144,-0.370695)
HKL = (   4,   0,   2)	(0.0813664,-0.339274)	(0.0813664,-0.339274)
HKL = (   4,   0,   3)	(0.120551,-0.290872)	(0.120551,-0.290872)
HKL = (   4,   1,   0)	(0.0473262,-0.364186)	(0.0473262,-0.364186)
HKL = (   4,   1,   1)	(0.0907459,-0.346328)	(0.0907459,-0.346328)
HKL = (   4,   1,   2)	(0.128569,-0.310756)	(0.128569,-0.310756)
HKL = (   4,   2,   0)	(0.105581,-0.329473)	(0.105581,-0.329473)
HKL = (   4,   2,   1)	(0.141744,-0.30731)	(0.141744,-0.30731)
HKL = (   4,   2,   2)	(0.170103,-0.269583)	(0.170103,-0.269583)
HKL = (   4,   3,   0)	(0.158087,-0.281221)	(0.158087,-0.281221)
HKL = (   5,   0,   0)	(-0.0104078,-0.427175)	(-0.0104078,-0.427175)
done fft
HKL = (  -2,  -2,  -2)  200 0.0015: 200 0.0015: 200 0.0015
HKL = (  -2,  -2,  -1)  199  207: 199  207: 199  207
HKL = (  -2,  -2,   0)  198   54: 198   54: 198   54
HKL = (  -2,  -2,   1)   36  252:  36  252:  36  252
HKL = (  -2,  -2,   2)   37   99:  37   99:  37   99
HKL = (  -2,  -1,  -2)  195  315: 195  315: 195  315
HKL = (  -2,  -1,  -1)  194  162: 194  162: 194  162
HKL = (  -2,  -1,   0)  193    9: 193    9: 193    9
HKL = (  -2,  -1,   1)   40  360:  40  360:  40  360
HKL = (  -2,  -1,   2)   41  207:  41  207:  41  207
HKL = (  -2,   0,  -2)  190  270: 190  270: 190  270
HKL = (  -2,   0,  -1)  189  117: 189  117: 189  117
HKL = (  -2,   0,   0)  188  324: 188  324: 188  324
HKL = (  -2,   0,   1)   44  108:  44  108:  44  108
HKL = (  -2,   0,   2)   45  315:  45  315:  45  315
HKL = (  -2,   1,  -2)  185  225: 185  225: 185  225
HKL = (  -2,   1,  -1)  184   72: 184   72: 184   72
HKL = (  -2,   1,   0)  183  279: 183  279: 183  279
HKL = (  -2,   1,   1)   48  216:  48  216:  48  216
HKL = (  -2,   1,   2)   49   63:  49   63:  49   63
HKL = (  -2,   2,  -2)  180  180: 180  180: 180  180
HKL = (  -2,   2,  -1)  179   27: 179   27: 179   27
HKL = (  -2,   2,   0)  178  234: 178  234: 178  234
HKL = (  -2,   2,   1)   52  324:  52  324:  52  324
HKL = (  -2,   2,   2)   53  171:  53  171:  53  171
HKL = (  -1,  -2,  -2)  161  153: 161  153: 161  153
HKL = (  -1,  -2,  -1)  160 0.000499: 160 0.000502: 160 0.000502
HKL = (  -1,  -2,   0)  159  207: 159  207: 159  207
HKL = (  -1,  -2,   1)   66  342:  66  342:  66  342
HKL = (  -1,  -2,   2)   67  189:  67  189:  67  189
HKL = (  -1,  -1,  -2)  156  108: 156  108: 156  108
HKL = (  -1,  -1,  -1)  155  315: 155  315: 155  315
HKL = (  -1,  -1,   0)  154  162: 154  162: 154  162
HKL = (  -1,  -1,   1)   70   90:  70   90:  70   90
HKL = (  -1,  -1,   2)   71  297:  71  297:  71  297
HKL = (  -1,   0,  -2)  151   63: 151   63: 151   63
HKL = (  -1,   0,  -1)  150  270: 150  270: 150  270
HKL = (  -1,   0,   0)  149  117: 149  117: 149  117
HKL = (  -1,   0,   1)   74  198:  74  198:  74  198
HKL = (  -1,   0,   2)   75   45:  75   45:  75   45
HKL = (  -1,   1,  -2)  146   18: 146   18: 146   18
HKL = (  -1,   1,  -1)  145  225: 145  225: 145  225
HKL = (  -1,   1,   0)  144   72: 144   72: 144   72
HKL = (  -1,   1,   1)   78  306:  78  306:  78  306
HKL = (  -1,   1,   2)   79  153:  79  153:  79  153
HKL = (  -1,   2,  -2)  141  333: 141  333: 141  333
HKL = (  -1,   2,  -1)  140  180: 140  180: 140  180
HKL = (  -1,   2,   0)  139   27: 139   27: 139   27
HKL = (  -1,   2,   1)   82   54:  82   54:  82   54
HKL = (  -1,   2,   2)   83  261:  83  261:  83  261
HKL = (   0,  -2,  -2)  119  207: 119  207: 119  207
HKL = (   0,  -2,  -1)  118   54: 118   54: 118   54
HKL = (   0,  -2,   0)  117  261: 117  261: 117  261
HKL = (   0,  -2,   1)   98  126:  98  126:  98  126
HKL = (   0,  -2,   2)   99  333:  99  333:  99  333
HKL = (   0,  -1,  -2)  114  162: 114  162: 114  162
HKL = (   0,  -1,  -1)  113    9: 113    9: 113    9
HKL = (   0,  -1,   0)  112  216: 112  216: 112  216
HKL = (   0,  -1,   1)  102  234: 102  234: 102  234
HKL = (   0,  -1,   2)  103   81: 103   81: 103   81
HKL = (   0,   0,  -2)  108  324: 108  324: 108  324
HKL = (   0,   0,  -1)  107  171: 107  171: 107  171
HKL = (   0,   0,   1)  107  189: 107  189: 107  189
HKL = (   0,   0,   2)  108   36: 108   36: 108   36
HKL = (   0,   1,  -2)  103  279: 103  279: 103  279
HKL = (   0,   1,  -1)  102  126: 102  126: 102  126
HKL = (   0,   1,   0)  112  144: 112  144: 112  144
HKL = (   0,   1,   1)  113  351: 113  351: 113  351
HKL = (   0,   1,   2)  114  198: 114  198: 114  198
HKL = (   0,   2,  -2)   99   27:  99   27:  99   27
HKL = (   0,   2,  -1)   98  234:  98  234:  98  234
HKL = (   0,   2,   0)  117   99: 117   99: 117   99
HKL = (   0,   2,   1)  118  306: 118  306: 118  306
HKL = (   0,   2,   2)  119  153: 119  153: 119  153
HKL = (   1,  -2,  -2)   83   99:  83   99:  83   99
HKL = (   1,  -2,  -1)   82  306:  82  306:  82  306
HKL = (   1,  -2,   0)  139  333: 139  333: 139  333
HKL = (   1,  -2,   1)  140  180: 140  180: 140  180
HKL = (   1,  -2,   2)  141   27: 141   27: 141   27
HKL = (   1,  -1,  -2)   79  207:  79  207:  79  207
HKL = (   1,  -1,  -1)   78   54:  78   54:  78   54
HKL = (   1,  -1,   0)  144  288: 144  288: 144  288
HKL = (   1,  -1,   1)  145  135: 145  135: 145  135
HKL = (   1,  -1,   2)  146  342: 146  342: 146  342
HKL = (   1,   0,  -2)   75  315:  75  315:  75  315
HKL = (   1,   0,  -1)   74  162:  74  162:  74  162
HKL = (   1,   0,   0)  149  243: 149  243: 149  243
HKL = (   1,   0,   1)  150   90: 150   90: 150   90
HKL = (   1,   0,   2)  151  297: 151  297: 151  297
HKL = (   1,   1,  -2)   71   63:  71   63:  71   63
HKL = (   1,   1,  -1)   70  270:  70  270:  70  270
HKL = (   1,   1,   0)  154  198: 154  198: 154  198
HKL = (   1,   1,   1)  155   45: 155   45: 155   45
HKL = (   1,   1,   2)  156  252: 156  252: 156  252
HKL = (   1,   2,  -2)   67  171:  67  171:  67  171
HKL = (   1,   2,  -1)   66   18:  66   18:  66   18
HKL = (   1,   2,   0)  159  153: 159  153: 159  153
HKL = (   1,   2,   1)  160  360: 160  360: 160  360
HKL = (   1,   2,   2)  161  207: 161  207: 161  207
HKL = (   2,  -2,  -2)   53  189:  53  189:  53  189
HKL = (   2,  -2,  -1)   52   36:  52   36:  52   36
HKL = (   2,  -2,   0)  178  126: 178  126: 178  126
HKL = (   2,  -2,   1)  179  333: 179  333: 179  333
HKL = (   2,  -2,   2)  180  180: 180  180: 180  180
HKL = (   2,  -1,  -2)   49  297:  49  297:  49  297
HKL = (   2,  -1,  -1)   48  144:  48  144:  48  144
HKL = (   2,  -1,   0)  183   81: 183   81: 183   81
HKL = (   2,  -1,   1)  184  288: 184  288: 184  288
HKL = (   2,  -1,   2)  185  135: 185  135: 185  135
HKL = (   2,   0,  -2)   45   45:  45   45:  45   45
HKL = (   2,   0,  -1)   44  252:  44  252:  44  252
HKL = (   2,   0,   0)  188   36: 188   36: 188   36
HKL = (   2,   0,   1)  189  243: 189  243: 189  243
HKL = (   2,   0,   2)  190   90: 190   90: 190   90
HKL = (   2,   1,  -2)   41  153:  41  153:  41  153
HKL = (   2,   1,  -1)   40 0.000125:  40 0.000122:  40 0.000127
HKL = (   2,   1,   0)  193  351: 193  351: 193  351
HKL = (   2,   1,   1)  194  198: 194  198: 194  198
HKL = (   2,   1,   2)  195   45: 195   45: 195   45
HKL = (   2,   2,  -2)   37  261:  37  261:  37  261
HKL = (   2,   2,  -1)   36  108:  36  108:  36  108
HKL = (   2,   2,   0)  198  306: 198  306: 198  306
HKL = (   2,   2,   1)  199  153: 199  153: 199  153
HKL = (   2,   2,   2)  200  360: 200  360: 200  360
0.1 0.0498 0.1 -0.0498 -0.1 0.05 0.0491
0.15 0.0746 0.15 -0.0746 -0.15 0.0748 0.0739
0.225 0.111 0.225 -0.111 -0.225 0.112 0.111
0.338 0.166 0.337 -0.166 -0.337 0.166 0.165
0.506 0.245 0.506 -0.245 -0.506 0.245 0.244
0.759 0.355 0.759 -0.355 -0.759 0.355 0.354
1.14 0.494 1.14 -0.494 -1.14 0.494 0.494
1.71 0.644 1.71 -0.644 -1.71 0.644 0.644
2.56 0.771 2.56 -0.771 -2.56 0.772 0.771
3.84 0.858 3.84 -0.858 -3.84 0.884 0.858
5.77 0.91 5.77 -0.91 -5.77 0.938 0.91
8.65 0.94 8.65 -0.94 -8.65 1.45 0.94
13 0.959 13 -0.959 -13 1.69 0.959
19.5 0.972 19.5 -0.972 -19.5 1.44 0.972
29.2 0.981 29.2 -0.981 -29.2 1.28 0.981
43.8 0.987 43.8 -0.987 -43.8 1.18 0.987
0.1 0.496 0.0498 0.0107 0.496 -0.0498 0.0107
0.0323 0.499 0.0161 0.00849 0.499 -0.0161 0.00849
0.0104 0.5 0.0052 0.00828 0.5 -0.0052 0.00828
0.00336 0.5 0.00168 0.00826 0.5 -0.00168 0.00826
0.00108 0.5 0.000541 0.00826 0.5 -0.000541 0.00826
0.000349 0.5 0.000175 0.00826 0.5 -0.000175 0.00826
0.000113 0.5 5.63e-05 0.00826 0.5 -5.63e-05 0.00826
0HKL = (  -4,  -2,   1) : 0 0.05 : 0.101 1.32e-09 : 1.24e-08 0.0502
1HKL = (  -4,  -2,   2) : 0.157 0.15 : 0.302 0.0478 : 0.157 0.151
2HKL = (  -4,  -1,   1) : 0.314 0.25 : 0.493 0.16 : 0.314 0.251
3HKL = (  -4,  -1,   2) : 0.471 0.35 : 0.666 0.34 : 0.471 0.35
4HKL = (  -4,   0,   1) : 0.628 0.45 : 0.815 0.592 : 0.628 0.449
5HKL = (  -4,   0,   2) : 0.785 0.55 : 0.935 0.935 : 0.785 0.549
6HKL = (  -4,   0,   3) : 0.942 0.65 : 1.02 1.41 : 0.942 0.65
7HKL = (  -4,   1,   1) : 1.1 0.75 : 1.08 2.12 : 1.1 0.751
8HKL = (  -4,   1,   2) : 1.26 0.85 : 1.13 3.49 : 1.26 0.849
9HKL = (  -4,   2,   1) : 1.41 0.95 : 1.65 10.4 : 1.41 0.951
10HKL = (  -4,   2,   2) : 1.57 0.05 : -3.45e-09 0.101 : 1.57 0.0502
11HKL = (  -3,  -3,   1) : 1.73 0.15 : -0.0478 0.302 : 1.73 0.151
12HKL = (  -3,  -3,   2) : 1.88 0.25 : -0.16 0.493 : 1.88 0.251
13HKL = (  -3,  -2,   1) : 2.04 0.35 : -0.34 0.666 : 2.04 0.35
14HKL = (  -3,  -2,   2) : 2.2 0.45 : -0.592 0.815 : 2.2 0.449
15HKL = (  -3,  -2,   3) : 2.36 0.55 : -0.935 0.935 : 2.36 0.549
16HKL = (  -3,  -1,   1) : 2.51 0.65 : -1.41 1.02 : 2.51 0.65
17HKL = (  -3,  -1,   2) : 2.67 0.75 : -2.12 1.08 : 2.67 0.751
18HKL = (  -3,  -1,   3) : 2.83 0.85 : -3.49 1.13 : 2.83 0.849
19HKL = (  -3,   0,   1) : 2.98 0.95 : -10.4 1.65 : 2.98 0.951
20HKL = (  -3,   0,   2) : 3.14 0.05 : -0.101 -1.54e-08 : -3.14 0.0502
21HKL = (  -3,   0,   3) : 3.3 0.15 : -0.302 -0.0478 : -2.98 0.151
22HKL = (  -3,   0,   4) : 3.46 0.25 : -0.493 -0.16 : -2.83 0.251
23HKL = (  -3,   1,   1) : 3.61 0.35 : -0.666 -0.34 : -2.67 0.35
24HKL = (  -3,   1,   2) : 3.77 0.45 : -0.815 -0.592 : -2.51 0.449
25HKL = (  -3,   1,   3) : 3.93 0.55 : -0.935 -0.935 : -2.36 0.549
26HKL = (  -3,   2,   1) : 4.08 0.65 : -1.02 -1.41 : -2.2 0.65
27HKL = (  -3,   2,   2) : 4.24 0.75 : -1.08 -2.12 : -2.04 0.751
28HKL = (  -3,   2,   3) : 4.4 0.85 : -1.13 -3.49 : -1.88 0.849
29HKL = (  -3,   3,   1) : 4.56 0.95 : -1.65 -10.4 : -1.73 0.951
30HKL = (  -3,   3,   2) : 4.71 0.05 : -3.99e-09 -0.101 : -1.57 0.0502
31HKL = (  -2,  -4,   1) : 4.87 0.15 : 0.0478 -0.302 : -1.41 0.151
32HKL = (  -2,  -4,   2) : 5.03 0.25 : 0.16 -0.493 : -1.26 0.251
33HKL = (  -2,  -3,   1) : 5.18 0.35 : 0.34 -0.666 : -1.1 0.35
34HKL = (  -2,  -3,   2) : 5.34 0.45 : 0.592 -0.815 : -0.942 0.449
35HKL = (  -2,  -3,   3) : 5.5 0.55 : 0.935 -0.935 : -0.785 0.549
36HKL = (  -2,  -2,   1) : 5.65 0.65 : 1.41 -1.02 : -0.628 0.65
37HKL = (  -2,  -2,   2) : 5.81 0.75 : 2.12 -1.08 : -0.471 0.751
38HKL = (  -2,  -2,   3) : 5.97 0.85 : 3.49 -1.13 : -0.314 0.849
39HKL = (  -2,  -2,   4) : 6.13 0.95 : 10.4 -1.65 : -0.157 0.951
40HKL = (  -2,  -1,   1) : 0 0.05 : 0.101 1.32e-09 : 1.24e-08 0.0502
41HKL = (  -2,  -1,   2) : 0.157 0.15 : 0.302 0.0478 : 0.157 0.151
42HKL = (  -2,  -1,   3) : 0.314 0.25 : 0.493 0.16 : 0.314 0.251
43HKL = (  -2,  -1,   4) : 0.471 0.35 : 0.666 0.34 : 0.471 0.35
44HKL = (  -2,   0,   1) : 0.628 0.45 : 0.815 0.592 : 0.628 0.449
45HKL = (  -2,   0,   2) : 0.785 0.55 : 0.935 0.935 : 0.785 0.549
46HKL = (  -2,   0,   3) : 0.942 0.65 : 1.02 1.41 : 0.942 0.65
47HKL = (  -2,   0,   4) : 1.1 0.75 : 1.08 2.12 : 1.1 0.751
48HKL = (  -2,   1,   1) : 1.26 0.85 : 1.13 3.49 : 1.26 0.849
49HKL = (  -2,   1,   2) : 1.41 0.95 : 1.65 10.4 : 1.41 0.951
50HKL = (  -2,   1,   3) : 1.57 0.05 : -3.45e-09 0.101 : 1.57 0.0502
51HKL = (  -2,   1,   4) : 1.73 0.15 : -0.0478 0.302 : 1.73 0.151
52HKL = (  -2,   2,   1) : 1.88 0.25 : -0.16 0.493 : 1.88 0.251
53HKL = (  -2,   2,   2) : 2.04 0.35 : -0.34 0.666 : 2.04 0.35
54HKL = (  -2,   2,   3) : 2.2 0.45 : -0.592 0.815 : 2.2 0.449
55HKL = (  -2,   2,   4) : 2.36 0.55 : -0.935 0.935 : 2.36 0.549
56HKL = (  -2,   3,   1) : 2.51 0.65 : -1.41 1.02 : 2.51 0.65
57HKL = (  -2,   3,   2) : 2.67 0.75 : -2.12 1.08 : 2.67 0.751
58HKL = (  -2,   3,   3) : 2.83 0.85 : -3.49 1.13 : 2.83 0.849
59HKL = (  -2,   4,   1) : 2.98 0.95 : -10.4 1.65 : 2.98 0.951
60HKL = (  -2,   4,   2) : 3.14 0.05 : -0.101 -1.54e-08 : -3.14 0.0502
61HKL = (  -1,  -4,   1) : 3.3 0.15 : -0.302 -0.0478 : -2.98 0.151
62HKL = (  -1,  -4,   2) : 3.46 0.25 : -0.493 -0.16 : -2.83 0.251
63HKL = (  -1,  -3,   1) : 3.61 0.35 : -0.666 -0.34 : -2.67 0.35
64HKL = (  -1,  -3,   2) : 3.77 0.45 : -0.815 -0.592 : -2.51 0.449
65HKL = (  -1,  -3,   3) : 3.93 0.55 : -0.935 -0.935 : -2.36 0.549
66HKL = (  -1,  -2,   1) : 4.08 0.65 : -1.02 -1.41 : -2.2 0.65
67HKL = (  -1,  -2,   2) : 4.24 0.75 : -1.08 -2.12 : -2.04 0.751
68HKL = (  -1,  -2,   3) : 4.4 0.85 : -1.13 -3.49 : -1.88 0.849
69HKL = (  -1,  -2,   4) : 4.56 0.95 : -1.65 -10.4 : -1.73 0.951
70HKL = (  -1,  -1,   1) : 4.71 0.05 : -3.99e-09 -0.101 : -1.57 0.0502
71HKL = (  -1,  -1,   2) : 4.87 0.15 : 0.0478 -0.302 : -1.41 0.151
72HKL = (  -1,  -1,   3) : 5.03 0.25 : 0.16 -0.493 : -1.26 0.251
73HKL = (  -1,  -1,   4) : 5.18 0.35 : 0.34 -0.666 : -1.1 0.35
74HKL = (  -1,   0,   1) : 5.34 0.45 : 0.592 -0.815 : -0.942 0.449
75HKL = (  -1,   0,   2) : 5.5 0.55 : 0.935 -0.935 : -0.785 0.549
76HKL = (  -1,   0,   3) : 5.65 0.65 : 1.41 -1.02 : -0.628 0.65
77HKL = (  -1,   0,   4) : 5.81 0.75 : 2.12 -1.08 : -0.471 0.751
78HKL = (  -1,   1,   1) : 5.97 0.85 : 3.49 -1.13 : -0.314 0.849
79HKL = (  -1,   1,   2) : 6.13 0.95 : 10.4 -1.65 : -0.157 0.951
80HKL = (  -1,   1,   3) : 0 0.05 : 0.101 1.32e-09 : 1.24e-08 0.0502
81HKL = (  -1,   1,   4) : 0.157 0.15 : 0.302 0.0478 : 0.157 0.151
82HKL = (  -1,   2,   1) : 0.314 0.25 : 0.493 0.16 : 0.314 0.251
83HKL = (  -1,   2,   2) : 0.471 0.35 : 0.666 0.34 : 0.471 0.35
84HKL = (  -1,   2,   3) : 0.628 0.45 : 0.815 0.592 : 0.628 0.449
85HKL = (  -1,   2,   4) : 0.785 0.55 : 0.935 0.935 : 0.785 0.549
86HKL = (  -1,   3,   1) : 0.942 0.65 : 1.02 1.41 : 0.942 0.65
87HKL = (  -1,   3,   2) : 1.1 0.75 : 1.08 2.12 : 1.1 0.751
88HKL = (  -1,   3,   3) : 1.26 0.85 : 1.13 3.49 : 1.26 0.849
89HKL = (  -1,   4,   1) : 1.41 0.95 : 1.65 10.4 : 1.41 0.951
90HKL = (  -1,   4,   2) : 1.57 0.05 : -3.45e-09 0.101 : 1.57 0.0502
91HKL = (   0,  -4,   1) : 1.73 0.15 : -0.0478 0.302 : 1.73 0.151
92HKL = (   0,  -4,   2) : 1.88 0.25 : -0.16 0.493 : 1.88 0.251
93HKL = (   0,  -4,   3) : 2.04 0.35 : -0.34 0.666 : 2.04 0.35
94HKL = (   0,  -3,   1) : 2.2 0.45 : -0.592 0.815 : 2.2 0.449
95HKL = (   0,  -3,   2) : 2.36 0.55 : -0.935 0.935 : 2.36 0.549
96HKL = (   0,  -3,   3) : 2.51 0.65 : -1.41 1.02 : 2.51 0.65
97HKL = (   0,  -3,   4) : 2.67 0.75 : -2.12 1.08 : 2.67 0.751
98HKL = (   0,  -2,   1) : 2.83 0.85 : -3.49 1.13 : 2.83 0.849
99HKL = (   0,  -2,   2) : 2.98 0.95 : -10.4 1.65 : 2.98 0.951
100HKL = (   0,  -2,   3) : 3.14 0.05 : -0.101 -1.54e-08 : -3.14 0.0502
101HKL = (   0,  -2,   4) : 3.3 0.15 : -0.302 -0.0478 : -2.98 0.151
102HKL = (   0,  -1,   1) : 3.46 0.25 : -0.493 -0.16 : -2.83 0.251
103HKL = (   0,  -1,   2) : 3.61 0.35 : -0.666 -0.34 : -2.67 0.35
104HKL = (   0,  -1,   3) : 3.77 0.45 : -0.815 -0.592 : -2.51 0.449
105HKL = (   0,  -1,   4) : 3.93 0.55 : -0.935 -0.935 : -2.36 0.549
106HKL = (   0,   0,   0) : 0 0.65 : 0.775 -4.75e-17 : 3.3e-17 0.65
107HKL = (   0,   0,   1) : 4.24 0.75 : -1.08 -2.12 : -2.04 0.751
108HKL = (   0,   0,   2) : 4.4 0.85 : -1.13 -3.49 : -1.88 0.849
109HKL = (   0,   0,   3) : 4.56 0.95 : -1.65 -10.4 : -1.73 0.951
110HKL = (   0,   0,   4) : 4.71 0.05 : -3.99e-09 -0.101 : -1.57 0.0502
111HKL = (   0,   0,   5) : 4.87 0.15 : 0.0478 -0.302 : -1.41 0.151
112HKL = (   0,   1,   0) : 5.03 0.25 : 0.16 -0.493 : -1.26 0.251
113HKL = (   0,   1,   1) : 5.18 0.35 : 0.34 -0.666 : -1.1 0.35
114HKL = (   0,   1,   2) : 5.34 0.45 : 0.592 -0.815 : -0.942 0.449
115HKL = (   0,   1,   3) : 5.5 0.55 : 0.935 -0.935 : -0.785 0.549
116HKL = (   0,   1,   4) : 5.65 0.65 : 1.41 -1.02 : -0.628 0.65
117HKL = (   0,   2,   0) : 5.81 0.75 : 2.12 -1.08 : -0.471 0.751
118HKL = (   0,   2,   1) : 5.97 0.85 : 3.49 -1.13 : -0.314 0.849
119HKL = (   0,   2,   2) : 6.13 0.95 : 10.4 -1.65 : -0.157 0.951
120HKL = (   0,   2,   3) : 0 0.05 : 0.101 1.32e-09 : 1.24e-08 0.0502
121HKL = (   0,   2,   4) : 0.157 0.15 : 0.302 0.0478 : 0.157 0.151
122HKL = (   0,   3,   0) : 0.314 0.25 : 0.493 0.16 : 0.314 0.251
123HKL = (   0,   3,   1) : 0.471 0.35 : 0.666 0.34 : 0.471 0.35
124HKL = (   0,   3,   2) : 0.628 0.45 : 0.815 0.592 : 0.628 0.449
125HKL = (   0,   3,   3) : 0.785 0.55 : 0.935 0.935 : 0.785 0.549
126HKL = (   0,   3,   4) : 0.942 0.65 : 1.02 1.41 : 0.942 0.65
127HKL = (   0,   4,   0) : 1.1 0.75 : 1.08 2.12 : 1.1 0.751
128HKL = (   0,   4,   1) : 1.26 0.85 : 1.13 3.49 : 1.26 0.849
129HKL = (   0,   4,   2) : 1.41 0.95 : 1.65 10.4 : 1.41 0.951
130HKL = (   0,   4,   3) : 1.57 0.05 : -3.45e-09 0.101 : 1.57 0.0502
131HKL = (   0,   5,   0) : 1.73 0.15 : -0.0478 0.302 : 1.73 0.151
132HKL = (   1,  -4,   0) : 1.88 0.25 : -0.16 0.493 : 1.88 0.251
133HKL = (   1,  -4,   1) : 2.04 0.35 : -0.34 0.666 : 2.04 0.35
134HKL = (   1,  -4,   2) : 2.2 0.45 : -0.592 0.815 : 2.2 0.449
135HKL = (   1,  -3,   0) : 2.36 0.55 : -0.935 0.935 : 2.36 0.549
136HKL = (   1,  -3,   1) : 2.51 0.65 : -1.41 1.02 : 2.51 0.65
137HKL = (   1,  -3,   2) : 2.67 0.75 : -2.12 1.08 : 2.67 0.751
138HKL = (   1,  -3,   3) : 2.83 0.85 : -3.49 1.13 : 2.83 0.849
139HKL = (   1,  -2,   0) : 2.98 0.95 : -10.4 1.65 : 2.98 0.951
140HKL = (   1,  -2,   1) : 3.14 0.05 : -0.101 -1.54e-08 : -3.14 0.0502
141HKL = (   1,  -2,   2) : 3.3 0.15 : -0.302 -0.0478 : -2.98 0.151
142HKL = (   1,  -2,   3) : 3.46 0.25 : -0.493 -0.16 : -2.83 0.251
143HKL = (   1,  -2,   4) : 3.61 0.35 : -0.666 -0.34 : -2.67 0.35
144HKL = (   1,  -1,   0) : 3.77 0.45 : -0.815 -0.592 : -2.51 0.449
145HKL = (   1,  -1,   1) : 3.93 0.55 : -0.935 -0.935 : -2.36 0.549
146HKL = (   1,  -1,   2) : 4.08 0.65 : -1.02 -1.41 : -2.2 0.65
147HKL = (   1,  -1,   3) : 4.24 0.75 : -1.08 -2.12 : -2.04 0.751
148HKL = (   1,  -1,   4) : 4.4 0.85 : -1.13 -3.49 : -1.88 0.849
149HKL = (   1,   0,   0) : 4.56 0.95 : -1.65 -10.4 : -1.73 0.951
150HKL = (   1,   0,   1) : 4.71 0.05 : -3.99e-09 -0.101 : -1.57 0.0502
151HKL = (   1,   0,   2) : 4.87 0.15 : 0.0478 -0.302 : -1.41 0.151
152HKL = (   1,   0,   3) : 5.03 0.25 : 0.16 -0.493 : -1.26 0.251
153HKL = (   1,   0,   4) : 5.18 0.35 : 0.34 -0.666 : -1.1 0.35
154HKL = (   1,   1,   0) : 5.34 0.45 : 0.592 -0.815 : -0.942 0.449
155HKL = (   1,   1,   1) : 5.5 0.55 : 0.935 -0.935 : -0.785 0.549
156HKL = (   1,   1,   2) : 5.65 0.65 : 1.41 -1.02 : -0.628 0.65
157HKL = (   1,   1,   3) : 5.81 0.75 : 2.12 -1.08 : -0.471 0.751
158HKL = (   1,   1,   4) : 5.97 0.85 : 3.49 -1.13 : -0.314 0.849
159HKL = (   1,   2,   0) : 6.13 0.95 : 10.4 -1.65 : -0.157 0.951
160HKL = (   1,   2,   1) : 0 0.05 : 0.101 1.32e-09 : 1.24e-08 0.0502
161HKL = (   1,   2,   2) : 0.157 0.15 : 0.302 0.0478 : 0.157 0.151
162HKL = (   1,   2,   3) : 0.314 0.25 : 0.493 0.16 : 0.314 0.251
163HKL = (   1,   2,   4) : 0.471 0.35 : 0.666 0.34 : 0.471 0.35
164HKL = (   1,   3,   0) : 0.628 0.45 : 0.815 0.592 : 0.628 0.449
165HKL = (   1,   3,   1) : 0.785 0.55 : 0.935 0.935 : 0.785 0.549
166HKL = (   1,   3,   2) : 0.942 0.65 : 1.02 1.41 : 0.942 0.65
167HKL = (   1,   3,   3) : 1.1 0.75 : 1.08 2.12 : 1.1 0.751
168HKL = (   1,   4,   0) : 1.26 0.85 : 1.13 3.49 : 1.26 0.849
169HKL = (   1,   4,   1) : 1.41 0.95 : 1.65 10.4 : 1.41 0.951
170HKL = (   1,   4,   2) : 1.57 0.05 : -3.45e-09 0.101 : 1.57 0.0502
171HKL = (   2,  -4,   0) : 1.73 0.15 : -0.0478 0.302 : 1.73 0.151
172HKL = (   2,  -4,   1) : 1.88 0.25 : -0.16 0.493 : 1.88 0.251
173HKL = (   2,  -4,   2) : 2.04 0.35 : -0.34 0.666 : 2.04 0.35
174HKL = (   2,  -3,   0) : 2.2 0.45 : -0.592 0.815 : 2.2 0.449
175HKL = (   2,  -3,   1) : 2.36 0.55 : -0.935 0.935 : 2.36 0.549
176HKL = (   2,  -3,   2) : 2.51 0.65 : -1.41 1.02 : 2.51 0.65
177HKL = (   2,  -3,   3) : 2.67 0.75 : -2.12 1.08 : 2.67 0.751
178HKL = (   2,  -2,   0) : 2.83 0.85 : -3.49 1.13 : 2.83 0.849
179HKL = (   2,  -2,   1) : 2.98 0.95 : -10.4 1.65 : 2.98 0.951
180HKL = (   2,  -2,   2) : 3.14 0.05 : -0.101 -1.54e-08 : -3.14 0.0502
181HKL = (   2,  -2,   3) : 3.3 0.15 : -0.302 -0.0478 : -2.98 0.151
182HKL = (   2,  -2,   4) : 3.46 0.25 : -0.493 -0.16 : -2.83 0.251
183HKL = (   2,  -1,   0) : 3.61 0.35 : -0.666 -0.34 : -2.67 0.35
184HKL = (   2,  -1,   1) : 3.77 0.45 : -0.815 -0.592 : -2.51 0.449
185HKL = (   2,  -1,   2) : 3.93 0.55 : -0.935 -0.935 : -2.36 0.549
186HKL = (   2,  -1,   3) : 4.08 0.65 : -1.02 -1.41 : -2.2 0.65
187HKL = (   2,  -1,   4) : 4.24 0.75 : -1.08 -2.12 : -2.04 0.751
188HKL = (   2,   0,   0) : 4.4 0.85 : -1.13 -3.49 : -1.88 0.849
189HKL = (   2,   0,   1) : 4.56 0.95 : -1.65 -10.4 : -1.73 0.951
190HKL = (   2,   0,   2) : 4.71 0.05 : -3.99e-09 -0.101 : -1.57 0.0502
191HKL = (   2,   0,   3) : 4.87 0.15 : 0.0478 -0.302 : -1.41 0.151
192HKL = (   2,   0,   4) : 5.03 0.25 : 0.16 -0.493 : -1.26 0.251
193HKL = (   2,   1,   0) : 5.18 0.35 : 0.34 -0.666 : -1.1 0.35
194HKL = (   2,   1,   1) : 5.34 0.45 : 0.592 -0.815 : -0.942 0.449
195HKL = (   2,   1,   2) : 5.5 0.55 : 0.935 -0.935 : -0.785 0.549
196HKL = (   2,   1,   3) : 5.65 0.65 : 1.41 -1.02 : -0.628 0.65
197HKL = (   2,   1,   4) : 5.81 0.75 : 2.12 -1.08 : -0.471 0.751
198HKL = (   2,   2,   0) : 5.97 0.85 : 3.49 -1.13 : -0.314 0.849
199HKL = (   2,   2,   1) : 6.13 0.95 : 10.4 -1.65 : -0.157 0.951
200HKL = (   2,   2,   2) : 0 0.05 : 0.101 1.32e-09 : 1.24e-08 0.0502
201HKL = (   2,   2,   3) : 0.157 0.15 : 0.302 0.0478 : 0.157 0.151
202HKL = (   2,   2,   4) : 0.314 0.25 : 0.493 0.16 : 0.314 0.251
203HKL = (   2,   3,   0) : 0.471 0.35 : 0.666 0.34 : 0.471 0.35
204HKL = (   2,   3,   1) : 0.628 0.45 : 0.815 0.592 : 0.628 0.449
205HKL = (   2,   3,   2) : 0.785 0.55 : 0.935 0.935 : 0.785 0.549
206HKL = (   2,   3,   3) : 0.942 0.65 : 1.02 1.41 : 0.942 0.65
207HKL = (   2,   4,   0) : 1.1 0.75 : 1.08 2.12 : 1.1 0.751
208HKL = (   2,   4,   1) : 1.26 0.85 : 1.13 3.49 : 1.26 0.849
209HKL = (   2,   4,   2) : 1.41 0.95 : 1.65 10.4 : 1.41 0.951
210HKL = (   3,  -4,   0) : 1.57 0.05 : -3.45e-09 0.101 : 1.57 0.0502
211HKL = (   3,  -3,   0) : 1.73 0.15 : -0.0478 0.302 : 1.73 0.151
212HKL = (   3,  -3,   1) : 1.88 0.25 : -0.16 0.493 : 1.88 0.251
213HKL = (   3,  -3,   2) : 2.04 0.35 : -0.34 0.666 : 2.04 0.35
214HKL = (   3,  -2,   0) : 2.2 0.45 : -0.592 0.815 : 2.2 0.449
215HKL = (   3,  -2,   1) : 2.36 0.55 : -0.935 0.935 : 2.36 0.549
216HKL = (   3,  -2,   2) : 2.51 0.65 : -1.41 1.02 : 2.51 0.65
217HKL = (   3,  -2,   3) : 2.67 0.75 : -2.12 1.08 : 2.67 0.751
218HKL = (   3,  -1,   0) : 2.83 0.85 : -3.49 1.13 : 2.83 0.849
219HKL = (   3,  -1,   1) : 2.98 0.95 : -10.4 1.65 : 2.98 0.951
220HKL = (   3,  -1,   2) : 3.14 0.05 : -0.101 -1.54e-08 : -3.14 0.0502
221HKL = (   3,  -1,   3) : 3.3 0.15 : -0.302 -0.0478 : -2.98 0.151
222HKL = (   3,   0,   0) : 3.46 0.25 : -0.493 -0.16 : -2.83 0.251
223HKL = (   3,   0,   1) : 3.61 0.35 : -0.666 -0.34 : -2.67 0.35
224HKL = (   3,   0,   2) : 3.77 0.45 : -0.815 -0.592 : -2.51 0.449
225HKL = (   3,   0,   3) : 3.93 0.55 : -0.935 -0.935 : -2.36 0.549
226HKL = (   3,   0,   4) : 4.08 0.65 : -1.02 -1.41 : -2.2 0.65
227HKL = (   3,   1,   0) : 4.24 0.75 : -1.08 -2.12 : -2.04 0.751
228HKL = (   3,   1,   1) : 4.4 0.85 : -1.13 -3.49 : -1.88 0.849
229HKL = (   3,   1,   2) : 4.56 0.95 : -1.65 -10.4 : -1.73 0.951
230HKL = (   3,   1,   3) : 4.71 0.05 : -3.99e-09 -0.101 : -1.57 0.0502
231HKL = (   3,   2,   0) : 4.87 0.15 : 0.0478 -0.302 : -1.41 0.151
232HKL = (   3,   2,   1) : 5.03 0.25 : 0.16 -0.493 : -1.26 0.251
233HKL = (   3,   2,   2) : 5.18 0.35 : 0.34 -0.666 : -1.1 0.35
234HKL = (   3,   2,   3) : 5.34 0.45 : 0.592 -0.815 : -0.942 0.449
235HKL = (   3,   3,   0) : 5.5 0.55 : 0.935 -0.935 : -0.785 0.549
236HKL = (   3,   3,   1) : 5.65 0.65 : 1.41 -1.02 : -0.628 0.65
237HKL = (   3,   3,   2) : 5.81 0.75 : 2.12 -1.08 : -0.471 0.751
238HKL = (   3,   4,   0) : 5.97 0.85 : 3.49 -1.13 : -0.314 0.849
239HKL = (   4,  -3,   0) : 6.13 0.95 : 10.4 -1.65 : -0.157 0.951
240HKL = (   4,  -2,   0) : 0 0.05 : 0.101 1.32e-09 : 1.24e-08 0.0502
241HKL = (   4,  -2,   1) : 0.157 0.15 : 0.302 0.0478 : 0.157 0.151
242HKL = (   4,  -2,   2) : 0.314 0.25 : 0.493 0.16 : 0.314 0.251
243HKL = (   4,  -1,   0) : 0.471 0.35 : 0.666 0.34 : 0.471 0.35
244HKL = (   4,  -1,   1) : 0.628 0.45 : 0.815 0.592 : 0.628 0.449
245HKL = (   4,  -1,   2) : 0.785 0.55 : 0.935 0.935 : 0.785 0.549
246HKL = (   4,   0,   0) : 0.942 0.65 : 1.02 1.41 : 0.942 0.65
247HKL = (   4,   0,   1) : 1.1 0.75 : 1.08 2.12 : 1.1 0.751
248HKL = (   4,   0,   2) : 1.26 0.85 : 1.13 3.49 : 1.26 0.849
249HKL = (   4,   0,   3) : 1.41 0.95 : 1.65 10.4 : 1.41 0.951
250HKL = (   4,   1,   0) : 1.57 0.05 : -3.45e-09 0.101 : 1.57 0.0502
251HKL = (   4,   1,   1) : 1.73 0.15 : -0.0478 0.302 : 1.73 0.151
252HKL = (   4,   1,   2) : 1.88 0.25 : -0.16 0.493 : 1.88 0.251
253HKL = (   4,   2,   0) : 2.04 0.35 : -0.34 0.666 : 2.04 0.35
254HKL = (   4,   2,   1) : 2.2 0.45 : -0.592 0.815 : 2.2 0.449
255HKL = (   4,   2,   2) : 2.36 0.55 : -0.935 0.935 : 2.36 0.549
256HKL = (   4,   3,   0) : 2.51 0.65 : -1.41 1.02 : 2.51 0.65
257HKL = (   5,   0,   0) : 2.67 0.75 : -2.12 1.08 : 2.67 0.751
Enter spacegroup: 146 9 3 R 3
0: x, y, z
1: -x+y, -x, z
2: -y, x-y, z
3: x+2/3, y+1/3, z+1/3
4: -x+y+2/3, -x+1/3, z+1/3
5: -y+2/3, x-y+1/3, z+1/3
6: x+1/3, y+2/3, z+2/3
7: -x+y+1/3, -x+2/3, z+2/3
8: -y+1/3, x-y+2/3, z+2/3
 Cell (   100,   100,   100,    90,    90,    90)
Vol1e+06
Orth mat
|       100, 6.123e-15, 6.123e-15|
|         0,       100, 1.608e-14|
|         0,         0,       100|
Frac mat
|      0.01,-6.123e-19,-6.123e-19|
|         0,      0.01,-1.608e-18|
|         0,         0,      0.01|
Prod mat
|         1, 1.661e-33,         0|
|         0,         1, 4.622e-33|
|         0,         0,         1|
Real metric m00= 10000 m11= 10000 m22= 10000 m01=1.22461e-12 m02=1.22461e-12 m12=1.22461e-12
Reci metric m00=0.0001 m11=0.0001 m22=0.0001 m01=-3.21629e-20 m02=-3.21629e-20 m12=-3.21629e-20
146 9 3 R 3
0: x, y, z
1: -x+y, -x, z
2: -y, x-y, z
3: x+2/3, y+1/3, z+1/3
4: -x+y+2/3, -x+1/3, z+1/3
5: -y+2/3, x-y+1/3, z+1/3
6: x+1/3, y+2/3, z+2/3
7: -x+y+1/3, -x+2/3, z+2/3
8: -y+1/3, x-y+2/3, z+2/3
/spgr
/spgr/cell
/spgr/cell/hkl
/spgr/cell/hkl/myfphi
/spgr/cell/hkl/myfphi2
/spgr/cell/hkl/myfsig
/spgr/cell2
F_phi
F_sigF
9 1
0=0
1=1
2=2
3=3
4=4
5=5
6=6
7=7
8=8
9=9
10=10
11=11
12=12
13=13
14=14
15=15
16=16
17=17
18=18
19=19
20=20
21=21
22=22
23=23
24=24
25=25
26=26
27=27
28=28
29=29
30=30
31=31
32=32
33=33
34=34
35=35
36=36
37=37
38=38
39=39
 (-1,-1,0)  14 18.0001
 (-1,0,-1)  3 99
 (-1,1,1)  3 261
 (0,-1,1)  3 261
 (0,0,0)  0 0
 (0,1,-1)  3 99
 (1,-1,-1)  3 99
 (1,0,1)  3 261
 (1,1,0)  14 342
done fft
uvw = (  -1,  -1,  -1)	5.89274e-06	0.000156491
uvw = (  -1,  -1,   0)	-3.75196e-05	-0.000117733
uvw = (  -1,  -1,   1)	-7.17164e-05	-0.000263674
uvw = (  -1,   0,  -1)	8.05979e-05	0.000212588
uvw = (  -1,   0,   0)	-3.27228e-05	-8.29749e-05
uvw = (  -1,   0,   1)	-0.000104683	-0.000242813
uvw = (  -1,   1,  -1)	4.56954e-07	-2.57473e-05
uvw = (  -1,   1,   0)	-9.86336e-05	-0.000133576
uvw = (  -1,   1,   1)	-0.000138529	-0.000200003
uvw = (   0,  -1,  -1)	6.35287e-05	0.000212588
uvw = (   0,  -1,   0)	-3.92746e-05	-8.2975e-05
uvw = (   0,  -1,   1)	-8.58521e-05	-0.000242813
uvw = (   0,   0,  -1)	9.38959e-05	0.000282924
uvw = (   0,   0,   0)	-4.00008e-05	-0.000116439
uvw = (   0,   0,   1)	-0.000108615	-0.000322042
uvw = (   0,   1,  -1)	1.9363e-06	0.000156491
uvw = (   0,   1,   0)	-8.55388e-05	-0.000117734
uvw = (   0,   1,   1)	-0.000112126	-0.000263674
uvw = (   1,  -1,  -1)	0.000142664	0.000110564
uvw = (   1,  -1,   0)	-8.03986e-06	-1.84376e-05
uvw = (   1,  -1,   1)	-8.1741e-05	-9.52161e-05
uvw = (   1,   0,  -1)	0.000147426	0.000156491
uvw = (   1,   0,   0)	1.76088e-06	-0.000117734
uvw = (   1,   0,   1)	-8.36358e-05	-0.000263674
uvw = (   1,   1,  -1)	6.72258e-05	0.000212588
uvw = (   1,   1,   0)	-1.45415e-05	-8.29749e-05
uvw = (   1,   1,   1)	-5.6082e-05	-0.000242813
HKL = (   0,   0,   0)	(-0.0429592,-0)	(-0.0429592,0)
HKL = (   0,   0,   3)	(-0.0378878,-0.0739947)	(-0.0378878,-0.0739947)
HKL = (   0,   1,  -4)	(-0.0320605,0.0847608)	(-0.0320605,0.0847608)
HKL = (   0,   1,  -1)	(-0.0406773,0.020628)	(-0.0406773,0.020628)
HKL = (   0,   1,   2)	(-0.0400787,-0.0568374)	(-0.0400787,-0.0568374)
HKL = (   0,   2,  -2)	(-0.0343158,0.0376177)	(-0.0343158,0.0376177)
HKL = (   0,   2,   1)	(-0.0378491,-0.0364595)	(-0.0378491,-0.0364595)
HKL = (   0,   2,   4)	(-0.0326234,-0.0915921)	(-0.0326234,-0.091592)
HKL = (   0,   3,  -3)	(-0.0252059,0.048177)	(-0.0252059,0.048177)
HKL = (   0,   3,   0)	(-0.0313509,-0.0165612)	(-0.0313509,-0.0165612)
HKL = (   0,   3,   3)	(-0.030634,-0.0750103)	(-0.030634,-0.0750103)
HKL = (   0,   4,  -1)	(-0.0216617,-0.000499976)	(-0.0216617,-0.000499977)
HKL = (   0,   4,   2)	(-0.0244542,-0.0558743)	(-0.0244542,-0.0558743)
HKL = (   1,   1,  -3)	(-0.0377701,0.0740122)	(-0.0377701,0.0740122)
HKL = (   1,   1,   0)	(-0.041312,0.00339454)	(-0.041312,0.00339454)
HKL = (   1,   1,   3)	(-0.0351556,-0.0688539)	(-0.0351556,-0.0688539)
HKL = (   1,   2,  -4)	(-0.0306578,0.0808533)	(-0.0306578,0.0808533)
HKL = (   1,   2,  -1)	(-0.0373509,0.021999)	(-0.0373509,0.021999)
HKL = (   1,   2,   2)	(-0.0356332,-0.0506492)	(-0.0356332,-0.0506492)
HKL = (   1,   3,  -2)	(-0.0297068,0.035541)	(-0.0297068,0.035541)
HKL = (   1,   3,   1)	(-0.0317861,-0.0311862)	(-0.0317861,-0.0311862)
HKL = (   1,   4,   0)	(-0.0240558,-0.013941)	(-0.0240558,-0.013941)
HKL = (   2,   1,  -2)	(-0.0400138,0.0586201)	(-0.0400138,0.0586201)
HKL = (   2,   1,   1)	(-0.0378726,-0.0124029)	(-0.0378726,-0.0124029)
HKL = (   2,   1,   4)	(-0.0274123,-0.0742552)	(-0.0274123,-0.0742552)
HKL = (   2,   2,  -3)	(-0.0347526,0.0686208)	(-0.0347526,0.0686208)
HKL = (   2,   2,   0)	(-0.0366893,0.00583548)	(-0.0366893,0.00583548)
HKL = (   2,   2,   3)	(-0.0301688,-0.0597746)	(-0.0301688,-0.0597746)
HKL = (   2,   3,  -1)	(-0.0313882,0.0206901)	(-0.0313882,0.0206901)
HKL = (   2,   3,   2)	(-0.0291174,-0.0425985)	(-0.0291174,-0.0425985)
HKL = (   2,   4,  -2)	(-0.0229644,0.0298212)	(-0.0229644,0.0298212)
HKL = (   2,   4,   1)	(-0.0240424,-0.025987)	(-0.0240424,-0.025987)
HKL = (   3,   1,  -1)	(-0.0383288,0.0418166)	(-0.0383288,0.0418167)
HKL = (   3,   1,   2)	(-0.031028,-0.0237018)	(-0.031028,-0.0237018)
HKL = (   3,   2,  -2)	(-0.0355606,0.0532176)	(-0.0355606,0.0532176)
HKL = (   3,   2,   1)	(-0.0324902,-0.00766256)	(-0.0324902,-0.00766256)
HKL = (   3,   3,   0)	(-0.0299709,0.00662774)	(-0.0299709,0.00662774)
HKL = (   4,   1,   0)	(-0.0330234,0.0269502)	(-0.0330234,0.0269502)
HKL = (   4,   2,  -1)	(-0.0329105,0.0378562)	(-0.0329105,0.0378562)
HKL = (   4,   2,   2)	(-0.0255757,-0.0159924)	(-0.0255757,-0.0159924)
done fft
HKL = (  -2,  -2,   0)   26   18:  26   18:  26   18
HKL = (  -2,  -1,  -1)   23  279:  23  279:  23  279
HKL = (  -2,  -1,   2)   22  126:  22  126:  22  126
HKL = (  -2,   0,  -2)    5  315:   5  315:   5  315
HKL = (  -2,   0,   1)    6  162:   6  162:   6  162
HKL = (  -2,   1,   0)   14   18:  14   18:  14   18
HKL = (  -2,   2,  -1)    6  198:   6  198:   6  198
HKL = (  -2,   2,   2)    5   45:   5   45:   5   45
HKL = (  -1,  -2,  -2)   18  234:  18  234:  18  234
HKL = (  -1,  -2,   1)   17   81:  17   81:  17   81
HKL = (  -1,  -1,   0)   14  342:  14  342:  14  342
HKL = (  -1,   0,  -1)    3  261:   3  261:   3  261
HKL = (  -1,   0,   2)    4  108:   4  108:   4  108
HKL = (  -1,   1,  -2)    4  252:   4  252:   4  252
HKL = (  -1,   1,   1)    3   99:   3   99:   3   99
HKL = (  -1,   2,   0)   14  342:  14  342:  14  342
HKL = (   0,  -2,  -1)    6  198:   6  198:   6  198
HKL = (   0,  -2,   2)    5   45:   5   45:   5   45
HKL = (   0,  -1,  -2)    4  252:   4  252:   4  252
HKL = (   0,  -1,   1)    3   99:   3   99:   3   99
HKL = (   0,   1,  -1)    3  261:   3  261:   3  261
HKL = (   0,   1,   2)    4  108:   4  108:   4  108
HKL = (   0,   2,  -2)    5  315:   5  315:   5  315
HKL = (   0,   2,   1)    6  162:   6  162:   6  162
HKL = (   1,  -2,   0)   14   18:  14   18:  14   18
HKL = (   1,  -1,  -1)    3  261:   3  261:   3  261
HKL = (   1,  -1,   2)    4  108:   4  108:   4  108
HKL = (   1,   0,  -2)    4  252:   4  252:   4  252
HKL = (   1,   0,   1)    3   99:   3   99:   3   99
HKL = (   1,   1,   0)   14   18:  14   18:  14   18
HKL = (   1,   2,  -1)   17  279:  17  279:  17  279
HKL = (   1,   2,   2)   18  126:  18  126:  18  126
HKL = (   2,  -2,  -2)    5  315:   5  315:   5  315
HKL = (   2,  -2,   1)    6  162:   6  162:   6  162
HKL = (   2,  -1,   0)   14  342:  14  342:  14  342
HKL = (   2,   0,  -1)    6  198:   6  198:   6  198
HKL = (   2,   0,   2)    5   45:   5   45:   5   45
HKL = (   2,   1,  -2)   22  234:  22  234:  22  234
HKL = (   2,   1,   1)   23   81:  23   81:  23   81
HKL = (   2,   2,   0)   26  342:  26  342:  26  342
0.1 0.0498 0.1 -0.0498 -0.1 0.05 0.0491
0.15 0.0746 0.15 -0.0746 -0.15 0.0748 0.0739
0.225 0.111 0.225 -0.111 -0.225 0.112 0.111
0.338 0.166 0.337 -0.166 -0.337 0.166 0.165
0.506 0.245 0.506 -0.245 -0.506 0.245 0.244
0.759 0.355 0.759 -0.355 -0.759 0.355 0.354
1.14 0.494 1.14 -0.494 -1.14 0.494 0.494
1.71 0.644 1.71 -0.644 -1.71 0.644 0.644
2.56 0.771 2.56 -0.771 -2.56 0.772 0.771
3.84 0.858 3.84 -0.858 -3.84 0.884 0.858
5.77 0.91 5.77 -0.91 -5.77 0.938 0.91
8.65 0.94 8.65 -0.94 -8.65 1.45 0.94
13 0.959 13 -0.959 -13 1.69 0.959
19.5 0.972 19.5 -0.972 -19.5 1.44 0.972
29.2 0.981 29.2 -0.981 -29.2 1.28 0.981
43.8 0.987 43.8 -0.987 -43.8 1.18 0.987
0.1 0.496 0.0498 0.0107 0.496 -0.0498 0.0107
0.0323 0.499 0.0161 0.00849 0.499 -0.0161 0.00849
0.0104 0.5 0.0052 0.00828 0.5 -0.0052 0.00828
0.00336 0.5 0.00168 0.00826 0.5 -0.00168 0.00826
0.00108 0.5 0.000541 0.00826 0.5 -0.000541 0.00826
0.000349 0.5 0.000175 0.00826 0.5 -0.000175 0.00826
0.000113 0.5 5.63e-05 0.00826 0.5 -5.63e-05 0.00826
0HKL = (   0,   0,   0) : 0 0.05 : 0.05 -3.06e-18 : 1.16e-15 0.05
1HKL = (   0,   0,   3) : 0.157 0.15 : 0.302 0.0478 : 0.157 0.151
2HKL = (   0,   1,  -4) : 0.314 0.25 : 0.493 0.16 : 0.314 0.251
3HKL = (   0,   1,  -1) : 0.471 0.35 : 0.666 0.34 : 0.471 0.35
4HKL = (   0,   1,   2) : 0.628 0.45 : 0.815 0.592 : 0.628 0.449
5HKL = (   0,   2,  -2) : 0.785 0.55 : 0.935 0.935 : 0.785 0.549
6HKL = (   0,   2,   1) : 0.942 0.65 : 1.02 1.41 : 0.942 0.65
7HKL = (   0,   2,   4) : 1.1 0.75 : 1.08 2.12 : 1.1 0.751
8HKL = (   0,   3,  -3) : 1.26 0.85 : 1.13 3.49 : 1.26 0.849
9HKL = (   0,   3,   0) : 1.41 0.95 : 1.65 10.4 : 1.41 0.951
10HKL = (   0,   3,   3) : 1.57 0.05 : -3.45e-09 0.101 : 1.57 0.0502
11HKL = (   0,   4,  -1) : 1.73 0.15 : -0.0478 0.302 : 1.73 0.151
12HKL = (   0,   4,   2) : 1.88 0.25 : -0.16 0.493 : 1.88 0.251
13HKL = (   1,   1,  -3) : 2.04 0.35 : -0.34 0.666 : 2.04 0.35
14HKL = (   1,   1,   0) : 2.2 0.45 : -0.592 0.815 : 2.2 0.449
15HKL = (   1,   1,   3) : 2.36 0.55 : -0.935 0.935 : 2.36 0.549
16HKL = (   1,   2,  -4) : 2.51 0.65 : -1.41 1.02 : 2.51 0.65
17HKL = (   1,   2,  -1) : 2.67 0.75 : -2.12 1.08 : 2.67 0.751
18HKL = (   1,   2,   2) : 2.83 0.85 : -3.49 1.13 : 2.83 0.849
19HKL = (   1,   3,  -2) : 2.98 0.95 : -10.4 1.65 : 2.98 0.951
20HKL = (   1,   3,   1) : 3.14 0.05 : -0.101 -1.54e-08 : -3.14 0.0502
21HKL = (   1,   4,   0) : 3.3 0.15 : -0.302 -0.0478 : -2.98 0.151
22HKL = (   2,   1,  -2) : 3.46 0.25 : -0.493 -0.16 : -2.83 0.251
23HKL = (   2,   1,   1) : 3.61 0.35 : -0.666 -0.34 : -2.67 0.35
24HKL = (   2,   1,   4) : 3.77 0.45 : -0.815 -0.592 : -2.51 0.449
25HKL = (   2,   2,  -3) : 3.93 0.55 : -0.935 -0.935 : -2.36 0.549
26HKL = (   2,   2,   0) : 4.08 0.65 : -1.02 -1.41 : -2.2 0.65
27HKL = (   2,   2,   3) : 4.24 0.75 : -1.08 -2.12 : -2.04 0.751
28HKL = (   2,   3,  -1) : 4.4 0.85 : -1.13 -3.49 : -1.88 0.849
29HKL = (   2,   3,   2) : 4.56 0.95 : -1.65 -10.4 : -1.73 0.951
30HKL = (   2,   4,  -2) : 4.71 0.05 : -3.99e-09 -0.101 : -1.57 0.0502
31HKL = (   2,   4,   1) : 4.87 0.15 : 0.0478 -0.302 : -1.41 0.151
32HKL = (   3,   1,  -1) : 5.03 0.25 : 0.16 -0.493 : -1.26 0.251
33HKL = (   3,   1,   2) : 5.18 0.35 : 0.34 -0.666 : -1.1 0.35
34HKL = (   3,   2,  -2) : 5.34 0.45 : 0.592 -0.815 : -0.942 0.449
35HKL = (   3,   2,   1) : 5.5 0.55 : 0.935 -0.935 : -0.785 0.549
36HKL = (   3,   3,   0) : 5.65 0.65 : 1.41 -1.02 : -0.628 0.65
37HKL = (   4,   1,   0) : 5.81 0.75 : 2.12 -1.08 : -0.471 0.751
38HKL = (   4,   2,  -1) : 5.97 0.85 : 3.49 -1.13 : -0.314 0.849
39HKL = (   4,   2,   2) : 6.13 0.95 : 10.4 -1.65 : -0.157 0.951
Enter spacegroup: 1 1 1 P 1
0: x, y, z
1 0 0 3825
1 0 1 3825
1 0 2 3825
1 0 3 3825
1 0 4 3825
1 0 5 3825
1 0 6 3825
1 0 7 3825
1 0 8 3825
P 1
-0.0001 -0.0001 -0.0001
0.9999 0.9999 0.9999
0
  0 11111111
  1 11111111
  2 11111111
  3 11111111
  4 11111111
  5 11111111
  6 11111111
  7 11111111
1
  0 11111111
  1 11111111
  2 11111111
  3 11111111
  4 11111111
  5 11111111
  6 11111111
  7 11111111
2
  0 11111111
  1 11111111
  2 11111111
  3 11111111
  4 11111111
  5 11111111
  6 11111111
  7 11111111
3
  0 11111111
  1 11111111
  2 11111111
  3 11111111
  4 11111111
  5 11111111
  6 11111111
  7 11111111
4
  0 11111111
  1 11111111
  2 11111111
  3 11111111
  4 11111111
  5 11111111
  6 11111111
  7 11111111
5
  0 11111111
  1 11111111
  2 11111111
  3 11111111
  4 11111111
  5 11111111
  6 11111111
  7 11111111
6
  0 11111111
  1 11111111
  2 11111111
  3 11111111
  4 11111111
  5 11111111
  6 11111111
  7 11111111
7
  0 11111111
  1 11111111
  2 11111111
  3 11111111
  4 11111111
  5 11111111
  6 11111111
  7 11111111
512 512 512 1
N 512
0
  0    0   1   2   3   4   5   6   7
  1   10  11  12  13  14  15  16  17
  2   20  21  22  23  24  25  26  27
  3   30  31  32  33  34  35  36  37
  4   40  41  42  43  44  45  46  47
  5   50  51  52  53  54  55  56  57
  6   60  61  62  63  64  65  66  67
  7   70  71  72  73  74  75  76  77
1
  0  100 101 102 103 104 105 106 107
  1  110 111 112 113 114 115 116 117
  2  120 121 122 123 124 125 126 127
  3  130 131 132 133 134 135 136 137
  4  140 141 142 143 144 145 146 147
  5  150 151 152 153 154 155 156 157
  6  160 161 162 163 164 165 166 167
  7  170 171 172 173 174 175 176 177
2
  0  200 201 202 203 204 205 206 207
  1  210 211 212 213 214 215 216 217
  2  220 221 222 223 224 225 226 227
  3  230 231 232 233 234 235 236 237
  4  240 241 242 243 244 245 246 247
  5  250 251 252 253 254 255 256 257
  6  260 261 262 263 264 265 266 267
  7  270 271 272 273 274 275 276 277
3
  0  300 301 302 303 304 305 306 307
  1  310 311 312 313 314 315 316 317
  2  320 321 322 323 324 325 326 327
  3  330 331 332 333 334 335 336 337
  4  340 341 342 343 344 345 346 347
  5  350 351 352 353 354 355 356 357
  6  360 361 362 363 364 365 366 367
  7  370 371 372 373 374 375 376 377
4
  0  400 401 402 403 404 405 406 407
  1  410 411 412 413 414 415 416 417
  2  420 421 422 423 424 425 426 427
  3  430 431 432 433 434 435 436 437
  4  440 441 442 443 444 445 446 447
  5  450 451 452 453 454 455 456 457
  6  460 461 462 463 464 465 466 467
  7  470 471 472 473 474 475 476 477
5
  0  500 501 502 503 504 505 506 507
  1  510 511 512 513 514 515 516 517
  2  520 521 522 523 524 525 526 527
  3  530 531 532 533 534 535 536 537
  4  540 541 542 543 544 545 546 547
  5  550 551 552 553 554 555 556 557
  6  560 561 562 563 564 565 566 567
  7  570 571 572 573 574 575 576 577
6
  0  600 601 602 603 604 605 606 607
  1  610 611 612 613 614 615 616 617
  2  620 621 622 623 624 625 626 627
  3  630 631 632 633 634 635 636 637
  4  640 641 642 643 644 645 646 647
  5  650 651 652 653 654 655 656 657
  6  660 661 662 663 664 665 666 667
  7  670 671 672 673 674 675 676 677
7
  0  700 701 702 703 704 705 706 707
  1  710 711 712 713 714 715 716 717
  2  720 721 722 723 724 725 726 727
  3  730 731 732 733 734 735 736 737
  4  740 741 742 743 744 745 746 747
  5  750 751 752 753 754 755 756 757
  6  760 761 762 763 764 765 766 767
  7  770 771 772 773 774 775 776 777
Enter spacegroup: 19 4 4 P 2ac 2ab
0: x, y, z
1: x+1/2, -y+1/2, -z
2: -x, y+1/2, -z+1/2
3: -x+1/2, -y, z+1/2
1 0 0 0
1 0 1 90
1 0 2 0
1 0 3 90
1 0 4 0
1 0 5 90
1 0 6 0
1 0 7 90
1 0 8 0
P 21 21 21
-0.0001 -0.0001 -0.0001
0.9999 0.2501 0.9999
0
  0 11111111
  1 11111111
  2 11111111
  3 00000000
  4 00000000
  5 00000000
  6 00000000
  7 00000000
1
  0 11111111
  1 11111111
  2 11111111
  3 00000000
  4 00000000
  5 00000000
  6 00000000
  7 00000000
2
  0 11110000
  1 11111111
  2 11111111
  3 00000000
  4 00000000
  5 00000000
  6 00000000
  7 00000000
3
  0 00000000
  1 11111111
  2 11111111
  3 00000000
  4 00000000
  5 00000000
  6 00000000
  7 00000000
4
  0 00000000
  1 11111111
  2 00000000
  3 00000000
  4 00000000
  5 00000000
  6 00000000
  7 00000000
5
  0 11111111
  1 11111111
  2 00000000
  3 00000000
  4 00000000
  5 00000000
  6 00000000
  7 00000000
6
  0 11110000
  1 11111111
  2 00000000
  3 00000000
  4 00000000
  5 00000000
  6 00000000
  7 00000000
7
  0 00000000
  1 11111111
  2 00000000
  3 00000000
  4 00000000
  5 00000000
  6 00000000
  7 00000000
512 512 128 4
N 512
0
  0    0   1   2   3   4   5   6   7
  1   10  11  12  13  14  15  16  17
  2   20  21  22  23  24  25  26  27
  3  410 417 416 415 414 413 412 411
  4    4   3   2   1   0   7   6   5
  5   14  13  12  11  10  17  16  15
  6   24  23  22  21  20  27  26  25
  7  414 415 416 417 410 411 412 413
1
  0  100 101 102 103 104 105 106 107
  1  110 111 112 113 114 115 116 117
  2  120 121 122 123 124 125 126 127
  3  510 517 516 515 514 513 512 511
  4  500 507 506 505 504 503 502 501
  5  714 713 712 711 710 717 716 715
  6  324 325 326 327 320 321 322 323
  7  314 315 316 317 310 311 312 313
2
  0  200 201 202 203 200 201 202 203
  1  210 211 212 213 214 215 216 217
  2  220 221 222 223 224 225 226 227
  3  610 617 616 615 614 613 612 611
  4  600 603 602 601 600 603 602 601
  5  614 613 612 611 610 617 616 615
  6  224 225 226 227 220 221 222 223
  7  214 215 216 217 210 211 212 213
3
  0  104 105 106 107 100 101 102 103
  1  310 311 312 313 314 315 316 317
  2  320 321 322 323 324 325 326 327
  3  710 717 716 715 714 713 712 711
  4  504 503 502 501 500 507 506 505
  5  514 513 512 511 510 517 516 515
  6  124 125 126 127 120 121 122 123
  7  114 115 116 117 110 111 112 113
4
  0    4   5   6   7   0   1   2   3
  1  410 411 412 413 414 415 416 417
  2   20  27  26  25  24  23  22  21
  3   10  17  16  15  14  13  12  11
  4    0   7   6   5   4   3   2   1
  5  414 413 412 411 410 417 416 415
  6   24  25  26  27  20  21  22  23
  7   14  15  16  17  10  11  12  13
5
  0  500 501 502 503 504 505 506 507
  1  510 511 512 513 514 515 516 517
  2  120 127 126 125 124 123 122 121
  3  110 117 116 115 114 113 112 111
  4  100 107 106 105 104 103 102 101
  5  314 313 312 311 310 317 316 315
  6  324 323 322 321 320 327 326 325
  7  714 715 716 717 710 711 712 713
6
  0  600 601 602 603 600 601 602 603
  1  610 611 612 613 614 615 616 617
  2  220 227 226 225 224 223 222 221
  3  210 217 216 215 214 213 212 211
  4  200 203 202 201 200 203 202 201
  5  214 213 212 211 210 217 216 215
  6  224 223 222 221 220 227 226 225
  7  614 615 616 617 610 611 612 613
7
  0  504 505 506 507 500 501 502 503
  1  710 711 712 713 714 715 716 717
  2  320 327 326 325 324 323 322 321
  3  310 317 316 315 314 313 312 311
  4  104 103 102 101 100 107 106 105
  5  114 113 112 111 110 117 116 115
  6  124 123 122 121 120 127 126 125
  7  514 515 516 517 510 511 512 513
Enter spacegroup: 210 96 24 F 4d 2 3
0: x, y, z
1: -y+1/4, x+1/4, z+1/4
2: y+1/4, x+1/4, -z+1/4
3: -y+1/4, -x+1/4, -z+1/4
4: x, -y, -z
5: -x, y, -z
6: -x+1/4, -z+1/4, -y+1/4
7: -z, x, -y
8: z, -x, -y
9: x+1/4, z+1/4, -y+1/4
10: y, -z, -x
11: -z+1/4, -y+1/4, -x+1/4
12: z+1/4, y+1/4, -x+1/4
13: -y, z, -x
14: -y, -z, x
15: z+1/4, -y+1/4, x+1/4
16: -z+1/4, y+1/4, x+1/4
17: y, z, x
18: x+1/4, -z+1/4, y+1/4
19: -z, -x, y
20: z, x, y
21: -x+1/4, z+1/4, y+1/4
22: y+1/4, -x+1/4, z+1/4
23: -x, -y, z
24: x+1/2, y+1/2, z
25: -y+3/4, x+3/4, z+1/4
26: y+3/4, x+3/4, -z+1/4
27: -y+3/4, -x+3/4, -z+1/4
28: x+1/2, -y+1/2, -z
29: -x+1/2, y+1/2, -z
30: -x+3/4, -z+1/4, -y+3/4
31: -z, x+1/2, -y+1/2
32: z, -x+1/2, -y+1/2
33: x+3/4, z+1/4, -y+3/4
34: y+1/2, -z, -x+1/2
35: -z+1/4, -y+3/4, -x+3/4
36: z+1/4, y+3/4, -x+3/4
37: -y+1/2, z, -x+1/2
38: -y+1/2, -z, x+1/2
39: z+1/4, -y+3/4, x+3/4
40: -z+1/4, y+3/4, x+3/4
41: y+1/2, z, x+1/2
42: x+3/4, -z+1/4, y+3/4
43: -z, -x+1/2, y+1/2
44: z, x+1/2, y+1/2
45: -x+3/4, z+1/4, y+3/4
46: y+3/4, -x+3/4, z+1/4
47: -x+1/2, -y+1/2, z
48: x+1/2, y, z+1/2
49: -y+1/4, x+3/4, z+3/4
50: y+1/4, x+3/4, -z+3/4
51: -y+1/4, -x+3/4, -z+3/4
52: x+1/2, -y, -z+1/2
53: -x+1/2, y, -z+1/2
54: -x+3/4, -z+3/4, -y+1/4
55: -z+1/2, x+1/2, -y
56: z+1/2, -x+1/2, -y
57: x+3/4, z+3/4, -y+1/4
58: y, -z+1/2, -x+1/2
59: -z+3/4, -y+1/4, -x+3/4
60: z+3/4, y+1/4, -x+3/4
61: -y, z+1/2, -x+1/2
62: -y, -z+1/2, x+1/2
63: z+3/4, -y+1/4, x+3/4
64: -z+3/4, y+1/4, x+3/4
65: y, z+1/2, x+1/2
66: x+3/4, -z+3/4, y+1/4
67: -z+1/2, -x+1/2, y
68: z+1/2, x+1/2, y
69: -x+3/4, z+3/4, y+1/4
70: y+1/4, -x+3/4, z+3/4
71: -x+1/2, -y, z+1/2
72: x, y+1/2, z+1/2
73: -y+3/4, x+1/4, z+3/4
74: y+3/4, x+1/4, -z+3/4
75: -y+3/4, -x+1/4, -z+3/4
76: x, -y+1/2, -z+1/2
77: -x, y+1/2, -z+1/2
78: -x+1/4, -z+3/4, -y+3/4
79: -z+1/2, x, -y+1/2
80: z+1/2, -x, -y+1/2
81: x+1/4, z+3/4, -y+3/4
82: y+1/2, -z+1/2, -x
83: -z+3/4, -y+3/4, -x+1/4
84: z+3/4, y+3/4, -x+1/4
85: -y+1/2, z+1/2, -x
86: -y+1/2, -z+1/2, x
87: z+3/4, -y+3/4, x+1/4
88: -z+3/4, y+3/4, x+1/4
89: y+1/2, z+1/2, x
90: x+1/4, -z+3/4, y+3/4
91: -z+1/2, -x, y+1/2
92: z+1/2, x, y+1/2
93: -x+1/4, z+3/4, y+3/4
94: y+3/4, -x+1/4, z+3/4
95: -x, -y+1/2, z+1/2
1 0 0 0
1 0 1 0
1 0 2 0
1 0 3 0
1 0 4 0
1 0 5 0
1 0 6 0
1 0 7 0
1 0 8 0
F 41 3 2
-0.0001 -0.0001 -0.0001
0.1251 0.1251 0.9999
0
  0 1222212000
  1 01210000
  2 00000000
  3 00000000
  4 00000000
  5 00000000
  6 00000000
  7 00000000
1
  0 00200000
  1 06030600
  2 00000000
  3 00000000
  4 00000000
  5 00000000
  6 00000000
  7 00000000
2
  0 00000000
  1 00000000
  2 00000000
  3 00000000
  4 00000000
  5 00000000
  6 00000000
  7 00000000
3
  0 00000000
  1 00000000
  2 00000000
  3 00000000
  4 00000000
  5 00000000
  6 00000000
  7 00000000
4
  0 00000000
  1 00000000
  2 00000000
  3 00000000
  4 00000000
  5 00000000
  6 00000000
  7 00000000
5
  0 00000000
  1 00000000
  2 00000000
  3 00000000
  4 00000000
  5 00000000
  6 00000000
  7 00000000
6
  0 00000000
  1 00000000
  2 00000000
  3 00000000
  4 00000000
  5 00000000
  6 00000000
  7 00000000
7
  0 00000000
  1 00000000
  2 00000000
  3 00000000
  4 00000000
  5 00000000
  6 00000000
  7 00000000
512 512 12 96
N 512
0
  0    0   1   2   3   4   3   2   1
  1    1  11  12  13   3  13  12  11
  2    2 102   2 102   2 102   2 102
  3    3  13  12  11   1  11  12  13
  4    4   3   2   1   0   1   2   3
  5    3  13  12  11   1  11  12  13
  6    2 102   2 102   2 102   2 102
  7    1  11  12  13   3  13  12  11
1
  0    1  11 102  13   3  13 102  11
  1   11 111  11 113  13 115  13 113
  2   12  11   1  11  12  13   3  13
  3   13 113  11 111  11 113  13 115
  4    3  13 102  11   1  11 102  13
  5   13 115  13 113  11 111  11 113
  6   12  13   3  13  12  11   1  11
  7   11 113  13 115  13 113  11 111
2
  0    2  12   2  12   2  12   2  12
  1  102  11   1  11 102  13   3  13
  2    2   1   0   1   2   3   4   3
  3  102  11   1  11 102  13   3  13
  4    2  12   2  12   2  12   2  12
  5  102  13   3  13 102  11   1  11
  6    2   3   4   3   2   1   0   1
  7  102  13   3  13 102  11   1  11
3
  0    3  13 102  11   1  11 102  13
  1   13 113  11 111  11 113  13 115
  2   12  11   1  11  12  13   3  13
  3   11 111  11 113  13 115  13 113
  4    1  11 102  13   3  13 102  11
  5   11 113  13 115  13 113  11 111
  6   12  13   3  13  12  11   1  11
  7   13 115  13 113  11 111  11 113
4
  0    4   3   2   1   0   1   2   3
  1    3  13  12  11   1  11  12  13
  2    2 102   2 102   2 102   2 102
  3    1  11  12  13   3  13  12  11
  4    0   1   2   3   4   3   2   1
  5    1  11  12  13   3  13  12  11
  6    2 102   2 102   2 102   2 102
  7    3  13  12  11   1  11  12  13
5
  0    3  13 102  11   1  11 102  13
  1   13 115  13 113  11 111  11 113
  2   12  13   3  13  12  11   1  11
  3   11 113  13 115  13 113  11 111
  4    1  11 102  13   3  13 102  11
  5   11 111  11 113  13 115  13 113
  6   12  11   1  11  12  13   3  13
  7   13 113  11 111  11 113  13 115
6
  0    2  12   2  12   2  12   2  12
  1  102  13   3  13 102  11   1  11
  2    2   3   4   3   2   1   0   1
  3  102  13   3  13 102  11   1  11
  4    2  12   2  12   2  12   2  12
  5  102  11   1  11 102  13   3  13
  6    2   1   0   1   2   3   4   3
  7  102  11   1  11 102  13   3  13
7
  0    1  11 102  13   3  13 102  11
  1   11 113  13 115  13 113  11 111
  2   12  13   3  13  12  11   1  11
  3   13 115  13 113  11 111  11 113
  4    3  13 102  11   1  11 102  13
  5   13 113  11 111  11 113  13 115
  6   12  11   1  11  12  13   3  13
  7   11 111  11 113  13 115  13 113
Column: 0 /HKL_base/HKL_base/H H
Column: 1 /HKL_base/HKL_base/K H
Column: 2 /HKL_base/HKL_base/L H
Column: 3 /Gere:native/native/FP F
Column: 4 /Gere:native/native/SIGFP Q
Column: 5 /Gere:native/native/FreeR_flag I
Column: 6 /Gere:Se_met_deriv/SEinfl/FSEinfl F
Column: 7 /Gere:Se_met_deriv/SEinfl/SIGFSEinfl Q
Column: 8 /Gere:Se_met_deriv/SEinfl/DSEinfl D
Column: 9 /Gere:Se_met_deriv/SEinfl/SIGDSEinfl Q
Column: 10 /Gere:Se_met_deriv/SEinfl/F(+)SEinfl F
Column: 11 /Gere:Se_met_deriv/SEinfl/SIGF(+)SEinfl Q
Column: 12 /Gere:Se_met_deriv/SEinfl/F(-)SEinfl F
Column: 13 /Gere:Se_met_deriv/SEinfl/SIGF(-)SEinfl Q
Column: 14 /Gere:Se_met_deriv/SEpeak/FSEpeak F
Column: 15 /Gere:Se_met_deriv/SEpeak/SIGFSEpeak Q
Column: 16 /Gere:Se_met_deriv/SEpeak/DSEpeak D
Column: 17 /Gere:Se_met_deriv/SEpeak/SIGDSEpeak Q
Column: 18 /Gere:Se_met_deriv/SEpeak/F(+)SEpeak F
Column: 19 /Gere:Se_met_deriv/SEpeak/SIGF(+)SEpeak Q
Column: 20 /Gere:Se_met_deriv/SEpeak/F(-)SEpeak F
Column: 21 /Gere:Se_met_deriv/SEpeak/SIGF(-)SEpeak Q
Import: 0 /Gere:native/native/FP F
Import: 1 /Gere:native/native/SIGFP Q
Import: 2 /Gere:Se_met_deriv/SEinfl/F(+)SEinfl F
Import: 3 /Gere:Se_met_deriv/SEinfl/SIGF(+)SEinfl Q
Import: 4 /Gere:Se_met_deriv/SEinfl/F(-)SEinfl F
Import: 5 /Gere:Se_met_deriv/SEinfl/SIGF(-)SEinfl Q
Import: 6 /*/*/NAN -
/unnamed/unnamed 1/unnamed 1/GerE native and MAD..
/unnamed/unnamed 1/unnamed 1/GerE native and MAD../xtal
/unnamed/unnamed 1/unnamed 1/GerE native and MAD../xtal/dset
/unnamed/unnamed 1/unnamed 1/GerE native and MAD../xtal/dset/myanom
/unnamed/unnamed 1/unnamed 1/GerE native and MAD../Gere:native
/unnamed/unnamed 1/unnamed 1/GerE native and MAD../Gere:native/native
/unnamed/unnamed 1/unnamed 1/GerE native and MAD../Gere:native/native/[FP SIGFP]
/unnamed/unnamed 1/unnamed 1/GerE native and MAD../newproj
/unnamed/unnamed 1/unnamed 1/GerE native and MAD../newproj/newcryst
/unnamed/unnamed 1/unnamed 1/GerE native and MAD../newproj/newcryst/newdset
 Cell (108.742,61.679,71.652,    90,97.151,    90)
0 70.7423 2.07666 103.365 nan nan
100 nan nan 220.304 223.094 nan
200 394.169 7.83464 354.701 370.211 nan
0 70.7423 2.07666
1 210.693 5.80592
2 155.308 4.17265
3 243.38 4.32522
4 166.253 3.23629
5 159.286 2.8669
6 518.022 9.8943
7 262.124 5.12788
8 98.9633 2.1326
9 273.992 4.65402
10 370.863 7.19511
11 498.77 19.3494
12 134.468 4.71436
13 200.691 6.55325
14 153.816 4.45381
15 302.506 8.90047
16 340.611 8.26537
17 169.787 3.86266
18 205.747 4.30168
19 251.76 4.90499
20 463.756 7.79415
21 400.014 9.88921
23 201.949 5.6487
24 387.946 9.68582
25 410.748 10.6504
26 294.74 6.37374
27 353.49 7.74755
28 73.1097 2.02682
29 585.084 11.582
30 143.967 2.45953
34 236.906 6.9979
35 14.4916 6.09006
36 11.3722 5.14616
38 258.366 7.98493
39 429.828 14.0028
40 240.329 4.95254
41 187.062 3.94724
42 56.5045 1.89671
43 180.542 4.02937
44 261.733 5.5876
45 294.5 5.86326
49 457.419 10.8841
50 408.232 7.93283
51 341.198 5.77211
52 440.2 10.4069
53 197.765 5.38436
54 420.706 11.721
55 106.306 2.13348
56 194.349 3.83442
57 234.073 4.29427
58 335.054 6.4002
63 291.639 9.07427
64 317.031 9.44291
68 225.314 5.81655
69 154.913 2.99977
70 288.161 5.09836
71 132.212 3.28277
72 270.867 7.69138
73 420.558 7.30269
74 157.846 2.67657
75 425.136 7.88306
80 303.355 7.07044
81 235.122 4.49281
84 91.2913 1.9943
85 316.887 8.34726
86 530.741 9.12017
87 430.57 7.2387
88 80.7979 1.79496
89 372.999 14.1441
90 503.073 7.7872
95 331.679 9.73111
96 62.4678 1.99793
97 105.752 3.39542
102 305.358 6.18893
103 198.384 4.71641
104 268.25 11.0835
105 231.659 5.19082
106 172.524 4.72967
107 94.981 1.47028
108 93.3357 1.70497
109 83.3719 1.68722
114 314.922 10.0509
115 491.145 18.3558
116 167.1 5.96173
120 214.949 4.98368
121 444.516 9.67995
122 452.517 9.67054
123 81.2368 1.80138
124 264.452 5.70006
125 370.153 6.105
126 674.266 10.0882
131 108.77 5.6867
132 266.765 12.0651
133 372.003 17.3403
139 51.9305 1.81548
140 103.811 3.28859
143 327.009 7.31659
144 173.559 4.38475
145 110.773 2.41283
146 290.128 5.66391
147 642.149 12.929
148 526.596 7.82135
154 308.841 8.61132
155 345.791 7.05095
160 375.585 14.2029
161 147.241 3.22654
162 211.339 4.72662
163 288.753 5.37698
164 196.511 3.84674
165 538.714 9.78599
166 54.297 1.31499
167 159.746 2.85775
173 517.104 15.8256
174 141.013 6.20604
179 295.773 8.14584
180 261.333 5.36355
181 300.642 6.1451
182 103.713 3.26925
183 321.54 9.53196
184 233.288 7.32277
185 95.9327 2.61227
186 150.844 3.43964
187 232.77 4.47198
188 325.122 6.78508
193 105.797 3.0312
194 215.867 3.981
195 157.743 3.71017
199 203.057 8.09188
200 394.169 7.83464
201 107.406 1.96361
202 411.194 9.23368
203 306.616 5.85685
204 146.474 3.8123
205 395.729 7.2991
210 215.018 5.86235
211 585.139 14.7887
212 291.975 7.5276
216 275.749 6.78104
217 179.005 3.74607
218 373.339 5.66859
219 110.461 3.21128
220 214.323 6.83426
221 114.248 2.31653
222 230.495 4.87174
223 118.638 2.09394
227 210.829 4.78403
228 426.965 6.8321
229 564.92 8.57438
230 36.0392 2.52454
231 164.199 3.54009
232 84.9836 2.38758
233 363.713 6.36501
234 353.324 6.8924
235 244.725 4.93726
236 637.017 9.15928
237 180.283 3.57325
241 33.5657 2.46268
242 126.998 3.07574
243 126.06 2.7935
245 181.903 6.19685
246 160.701 3.6419
247 220.378 4.20392
248 188.278 3.39476
249 51.9949 1.6333
250 391.744 6.74726
251 171.885 3.29861
252 380.432 6.03178
253 235.13 5.96829
254 416.849 9.22704
255 333.567 8.75232
256 209.151 4.33178
257 406.056 6.72193
258 265.519 5.60743
259 601.759 10.4998
260 285.782 4.78037
261 392.427 6.31677
262 109.362 3.72237
263 454.01 20.3205
264 276.036 6.50774
265 109.41 2.2785
266 332.846 8.06969
267 212.278 4.87651
268 127.946 2.59437
269 493.986 8.57711
270 120.353 2.35367
271 357.281 5.76326
272 103.811 2.43831
273 226.272 4.31441
274 250.711 4.19798
275 148.369 2.28919
276 278.103 5.30523
277 500.028 9.48356
278 100.929 8.23301
279 577.698 12.9814
280 67.3843 1.68901

----------------------------------------
NaN: 4=4
NaN: 8=8
Nan: nan111nan111nan111nan111nan111nan111

----------------------------------------
0.00447191 0.1111
0.110355 HKL = ( -36,   0,   1) 8315.02 11730.4 24850.5 8061.66
0.104992 HKL = ( -33,   7,   3) 8315.02 12732.3 24958.7 8597.23
0.0988434 HKL = ( -31,   5,  10) 9967.83 13986.8 25084.5 10247
0.108468 HKL = ( -30,  10,   8) 8315.02 12073.6 24888.4 8152.14
0.0676853 HKL = ( -28,   2,   1) 30347.5 22518.1 25752.9 29050.9
0.0641377 HKL = ( -27,   3,   3) 30347.5 23772.7 25832.5 30756.7
0.0598459 HKL = ( -26,   2,   5) 37918.5 25384.4 25929.8 34373.7
0.0626725 HKL = ( -25,   1,   9) 30347.5 24311.1 25865.6 31722.2
0.106833 HKL = ( -25,  13,   9) 8315.02 12379 24921.4 8324.96
0.0800056 HKL = ( -24,  10,   7) 19183.8 18653.3 25482.2 21962.4
0.0778525 HKL = ( -23,   7,  12) 26640.1 19277.3 25528.9 24626.6
0.0460902 HKL = ( -22,   4,   4) 32402.2 31323.5 26249.4 39326.9
0.0376606 HKL = ( -21,   1,   1) 18509.6 35630.6 26451.3 16094.4
0.0694234 HKL = ( -21,  11,   3) 30347.5 21927.8 25714.2 28719.8
0.0433157 HKL = ( -20,   6,   2) 32402.2 32680.4 26315.3 34102.6
0.0448902 HKL = ( -19,   1,  10) 32402.2 31903.3 26277.8 37178.8
0.0764334 HKL = ( -19,  11,  10) 26640.1 19700 25559.8 25934.1
0.085623 HKL = ( -18,   4,  18) 19183.8 17118.6 25361.6 16895.4
0.109066 HKL = ( -18,  16,  10) 8315.02 11963.7 24876.4 8113.69
0.0823553 HKL = ( -17,   9,  15) 19183.8 17995.3 25431.5 19635.3
0.084597 HKL = ( -16,   2,  19) 19183.8 17389.2 25383.5 17641.6
0.0965677 HKL = ( -16,  12,  15) 9967.83 14481.8 25131.6 11220.7
0.0319184 HKL = ( -15,   7,   1) 18509.6 38898.9 26591.6 9469.62
0.0167188 HKL = ( -14,   0,   2) 55049.4 49071.1 26974.2 59593.8
0.0660755 HKL = ( -14,   8,  14) 30347.5 23079 25788.9 29662.2
0.101254 HKL = ( -13,   1,  22) 9967.83 13480.8 25035 9459.03
0.0791937 HKL = ( -13,  11,  14) 19183.8 18886.2 25499.8 22910
0.0171874 HKL = ( -12,   4,   3) 55049.4 48720.9 26962.1 58431.8
0.107313 HKL = ( -12,  12,  18) 8315.02 12288.6 24911.7 8259.67
0.0619014 HKL = ( -11,   5,  16) 30347.5 24599.3 25883 32406.1
0.0864378 HKL = ( -11,  17,   2) 19183.8 16906.8 25344.3 16328.9
0.0576996 HKL = ( -10,   6,  15) 37918.5 26230.9 25978.9 36411.9
0.095624 HKL = ( -10,  18,   4) 13781.3 14692.2 25151.2 11663.3
0.0302466 HKL = (  -9,   9,   4) 18509.6 39905.6 26632.8 11654.6
0.0308714 HKL = (  -8,   0,  12) 18509.6 39526.4 26617.4 10634.4
0.104118 HKL = (  -8,   8,  21) 8315.02 12903.5 24976.5 8761.8
0.0644843 HKL = (  -7,   1,  18) 30347.5 23647.1 25824.7 30520.4
0.0417744 HKL = (  -7,  11,   6) 32402.2 33459.3 26352.1 30464.4
0.015248 HKL = (  -6,   2,   8) 55049.4 50186.7 27012.1 62255.6
0.0971006 HKL = (  -6,  10,  19) 9967.83 14364.3 25120.5 10953.1
0.0266674 HKL = (  -5,   3,  11) 18509.6 42149.4 26721.9 22276.4
0.0470377 HKL = (  -5,  13,   2) 32402.2 30873.2 26227 40301.9
0.00564817 HKL = (  -4,   4,   1) 55049.4 58117.7 27263.6 70201
0.0761864 HKL = (  -4,  12,  14) 26640.1 19774.5 25565.2 26167.5
0.00794125 HKL = (  -3,   5,   2) 55049.4 56116.1 27202.9 69677.4
0.094287 HKL = (  -3,  13,  16) 13781.3 14995.5 25179 12364.9
0.0424183 HKL = (  -2,   4,  14) 32402.2 33131.7 26336.7 32089.8
0.0673055 HKL = (  -2,  14,   9) 30347.5 22649.2 25761.4 29199.5
0.0567865 HKL = (  -1,   5,  16) 37918.5 26599.5 25999.8 37099.8
0.0873298 HKL = (  -1,  15,  12) 19183.8 16677.9 25325.3 15774.1
0.0102544 HKL = (   0,   6,   2) 55049.4 54166.9 27142 68429.7
0.102169 HKL = (   0,  14,  16) 9967.83 13293.6 25016.2 9254.25
0.0643865 HKL = (   1,   5,  17) 30347.5 23682.5 25826.9 30618.8
0.0793386 HKL = (   1,  15,  10) 19183.8 18844.4 25496.6 22761.7
0.101735 HKL = (   2,   4,  22) 9967.83 13382.2 25025.1 9342.92
0.081133 HKL = (   2,  14,  12) 19183.8 18334.6 25457.8 20753.9
0.0420463 HKL = (   3,   5,  13) 32402.2 33320.6 26345.6 31206
0.0733578 HKL = (   3,  15,   8) 26640.1 20648.1 25627.2 27948.7
0.104194 HKL = (   4,   4,  22) 8315.02 12888.6 24975 8743.43
0.0934903 HKL = (   4,  14,  14) 13781.3 15179.2 25195.6 12730.8
0.0832246 HKL = (   5,   5,  19) 19183.8 17757.8 25412.9 18843.9
0.108241 HKL = (   5,  15,  15) 8315.02 12115.6 24893 8169.11
0.0267754 HKL = (   6,   6,   8) 18509.6 42079.9 26719.2 21833.2
0.0881628 HKL = (   6,  16,   9) 13781.3 16466.9 25307.7 15342.7
0.0483053 HKL = (   7,   7,  12) 32402.2 30280.9 26197.1 40947.1
0.105184 HKL = (   7,  19,   5) 8315.02 12695 24954.8 8564.51
0.0338326 HKL = (   8,   8,   7) 18509.6 37777.4 26544.5 8835.75
0.0160958 HKL = (   9,   1,   6) 55049.4 49540.6 26990.2 61044.7
0.0976094 HKL = (   9,   9,  18) 9967.83 14253.1 25110 10740.4
0.0187112 HKL = (  10,   2,   6) 55049.4 47599.4 26923.1 54144.6
0.0469642 HKL = (  10,  12,   1) 32402.2 30907.9 26228.7 40235.8
0.0175202 HKL = (  11,   5,   1) 55049.4 48473.8 26953.6 57426.4
0.0762686 HKL = (  11,  15,   5) 26640.1 19749.6 25563.4 26093.2
0.0455118 HKL = (  12,   6,  10) 32402.2 31601.7 26263.1 38460.6
0.106996 HKL = (  12,  18,   6) 8315.02 12348.3 24918.1 8299.49
0.0804934 HKL = (  13,   9,  14) 19183.8 18514.7 25471.6 21347.2
0.0630269 HKL = (  14,   2,  14) 30347.5 24179.8 25857.6 31405
0.106019 HKL = (  14,  12,  15) 8315.02 12533.9 24937.9 8426.96
0.042251 HKL = (  15,   7,   6) 32402.2 33216.5 26340.7 31740.8
0.0879957 HKL = (  16,   0,  17) 13781.3 16509 25311.2 15423.7
0.0631806 HKL = (  16,  12,   3) 30347.5 24123.1 25854.1 31316.6
0.0395999 HKL = (  17,   7,   2) 32402.2 34590 26404.4 23433.8
0.0288827 HKL = (  18,   2,   0) 18509.6 40746.2 26666.7 14877.1
0.0960489 HKL = (  18,  12,  11) 9967.83 14597.1 25142.3 11458.9
0.0579335 HKL = (  19,   9,   4) 37918.5 26137.3 25973.5 36161.3
0.0696451 HKL = (  20,   4,  11) 30347.5 21853.6 25709.2 28703.2
0.0996982 HKL = (  21,   1,  16) 9967.83 13805.2 25066.9 9921.31
0.042487 HKL = (  22,   0,   1) 32402.2 33096.9 26335.1 32211.3
0.0854487 HKL = (  22,  12,   4) 19183.8 17164.3 25365.3 17010.8
0.0812668 HKL = (  23,  11,   3) 19183.8 18297.2 25455 20594.1
0.0757639 HKL = (  24,  10,   0) 26640.1 19902.6 25574.4 26465.5
0.085493 HKL = (  25,  11,   0) 19183.8 17152.7 25364.4 16966.5
0.102461 HKL = (  26,  12,   4) 9967.83 13234.5 25010.3 9156.11
0.0883286 HKL = (  28,   2,   8) 13781.3 16425.2 25304.1 15236.4
0.0981371 HKL = (  29,   9,   3) 9967.83 14138.6 25099.1 10532
0.108588 HKL = (  31,   7,   6) 8315.02 12051.3 24886 8142.89
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
<pre>
 
 ###############################################################
 ###############################################################
 ###############################################################
 ### CCP4 5.0: MTZDUMP            version 5.0       : 23/01/04##
 ###############################################################
 User: cowtan  Run date: 16/ 6/2004 Run time: 15:31:57 


 Please reference: Collaborative Computational Project, Number 4. 1994.
 "The CCP4 Suite: Programs for Protein Crystallography". Acta Cryst. D50, 760-763.
 as well as any specific reference in the program write-up.

<!--SUMMARY_END--></FONT></B>

 OPENED INPUT MTZ FILE 
 Logical Name: HKLIN   Filename: junk.mtz 


 Spacegroup information obtained from library file: 
 Logical Name: SYMINFO   Filename: //y/programs/xtal/ccp4-rel/ccp4-5.0/lib/data/syminfo.lib

 * Title:

 GerE native and MAD..

 * Base dataset:

        0 HKL_base
          HKL_base
          HKL_base

 * Number of Datasets = 3

 * Dataset ID, project/crystal/dataset names, cell dimensions, wavelength:

        1 Gere:native
          Gere:native
          native
            108.8420   61.7790   71.7520   90.0000   97.2510   90.0000
             1.40000
        2 Gere:Se_met_deriv
          Gere:Se_met_deriv
          SEinfl
            108.7420   61.6790   71.6520   90.0000   97.1510   90.0000
             0.98100
        3 Gere:Se_met_deriv
          Gere:Se_met_deriv
          SEpeak
            108.7420   61.6790   71.6520   90.0000   97.1510   90.0000
             0.98000

 * Number of Columns = 27

 * Number of Reflections = 25739

 * Missing value set to NaN in input mtz file

 * HISTORY for current MTZ file :

 From FREERFLAG, 11/ 4/98 14:21:06 with fraction 0.050                           
 From MTZUTILS, 11/ 3/98 15:36:47 after history:                                 
 From MLPHARE, 10/26/98 15:35:29                                                 
 From NA4TOMTZ, 12/ 1/00 11:51:15                                                
 data from CAD on 17/ 1/01                                                       

 * Column Labels :

 H K L FP SIGFP FreeR_flag anom.F_sigF_ano.F+ anom.F_sigF_ano.sigF+ anom.F_sigF_ano.F- anom.F_sigF_ano.sigF- anom.F_sigF_ano.covF+- FSEinfl SIGFSEinfl DSEinfl SIGDSEinfl F(+)SEinfl SIGF(+)SEinfl F(-)SEinfl SIGF(-)SEinfl FSEpeak SIGFSEpeak DSEpeak SIGDSEpeak F(+)SEpeak SIGF(+)SEpeak F(-)SEpeak SIGF(-)SEpeak

 * Column Types :

 H H H F Q I G L G L C F Q D Q F Q F Q F Q D Q F Q F Q

 * Associated datasets :

 0 0 0 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3

 * Cell Dimensions : (obsolete - use crystal cells)

  108.8420   61.7790   71.7520   90.0000   97.2510   90.0000 

 *  Resolution Range :

    0.00020    0.21675     (     71.247 -      2.148 A )

 * Sort Order :

      0     0     0     0     0

 * Space group = 'C2' (number     5)



 OVERALL FILE STATISTICS for resolution range   0.000 -   0.217
 ======================= 


 Col Sort    Min    Max    Num      %     Mean     Mean   Resolution   Type Column
 num order               Missing complete          abs.   Low    High       label 

   1 ASC    -50      50      0  100.00     -1.9     19.0  71.18   2.15   H  H
   2 NONE     0      28      0  100.00     10.5     10.5  71.18   2.15   H  K
   3 NONE     0      33      0  100.00     12.6     12.6  71.18   2.15   H  L
   4 NONE    6.9   697.5   268   98.96    79.02    79.02  14.97   2.15   F  FP
   5 NONE    0.9    33.3   268   98.96     4.54     4.54  14.97   2.15   Q  SIGFP
   6 NONE    0.0    19.0     0  100.00     9.47     9.47  71.18   2.15   I  FreeR_flag
   7 NONE   16.0   692.3 25501    0.92   212.22   212.22  28.34  10.03   G  anom.F_sigF_ano.F+
   8 NONE    1.2    12.1 25501    0.92     4.24     4.24  28.34  10.03   L  anom.F_sigF_ano.sigF+
   9 NONE   28.2   703.8 25562    0.69   224.31   224.31  24.80  10.03   G  anom.F_sigF_ano.F-
  10 NONE    1.5    12.4 25562    0.69     4.28     4.28  24.80  10.03   L  anom.F_sigF_ano.sigF-
  11 BOTH     ?       ?  25739    0.00      ?        ?  -999.00   0.00   C  anom.F_sigF_ano.covF+-
  12 NONE   12.9   738.1 14174   44.93   117.62   117.62  28.34   2.75   F  FSEinfl
  13 NONE    1.2    29.2 14174   44.93     6.73     6.73  28.34   2.75   Q  SIGFSEinfl
  14 NONE -136.3   142.3 15242   40.78    -0.34    11.33  24.80   2.75   D  DSEinfl
  15 NONE    2.4    54.2 15242   40.78    12.79    12.79  24.80   2.75   Q  SIGDSEinfl
  16 NONE   11.5   746.7 14293   44.47   114.00   114.00  28.34   2.75   F  F(+)SEinfl
  17 NONE    1.2    22.9 14293   44.47     8.39     8.39  28.34   2.75   Q  SIGF(+)SEinfl
  18 NONE   12.0   742.7 15123   41.24   114.45   114.45  24.80   2.75   F  F(-)SEinfl
  19 NONE    1.5    42.5 15123   41.24     8.59     8.59  24.80   2.75   Q  SIGF(-)SEinfl
  20 NONE    9.2   726.7 13739   46.62   118.35   118.35  29.71   2.75   F  FSEpeak
  21 NONE    1.1    36.0 13739   46.62     6.63     6.63  29.71   2.75   Q  SIGFSEpeak
  22 NONE  -96.7   139.2 13963   45.75    -0.33    12.73  26.99   2.75   D  DSEpeak
  23 NONE    0.0    47.6 13963   45.75    11.77    11.77  26.99   2.75   Q  SIGDSEpeak
  24 NONE    8.9   727.2 13777   46.47   114.76   114.76  29.71   2.75   F  F(+)SEpeak
  25 NONE    1.4    26.0 13777   46.47     8.31     8.31  29.71   2.75   Q  SIGF(+)SEpeak
  26 NONE   12.5   745.8 14691   42.92   115.15   115.15  24.80   2.75   F  F(-)SEpeak
  27 NONE    1.5    38.5 14691   42.92     8.47     8.47  24.80   2.75   Q  SIGF(-)SEpeak


 No. of reflections used in FILE STATISTICS    25739



 LIST OF REFLECTIONS
 ===================

  -50   0   1         ?         ?        2.00       ?         ?         ?  
                      ?         ?         ?         ?         ?         ?  
                      ?         ?         ?         ?         ?         ?  
                      ?         ?         ?         ?         ?         ?  

  -50   0   2       59.42      5.88     19.00       ?         ?         ?  
                      ?         ?         ?         ?         ?         ?  
                      ?         ?         ?         ?         ?         ?  
                      ?         ?         ?         ?         ?         ?  

  -50   0   3       14.52      9.31     17.00       ?         ?         ?  
                      ?         ?         ?         ?         ?         ?  
                      ?         ?         ?         ?         ?         ?  
                      ?         ?         ?         ?         ?         ?  

  -50   0   4         ?         ?        8.00       ?         ?         ?  
                      ?         ?         ?         ?         ?         ?  
                      ?         ?         ?         ?         ?         ?  
                      ?         ?         ?         ?         ?         ?  

  -50   0   5         ?         ?        9.00       ?         ?         ?  
                      ?         ?         ?         ?         ?         ?  
                      ?         ?         ?         ?         ?         ?  
                      ?         ?         ?         ?         ?         ?  

  -50   0   6       43.94      5.84     11.00       ?         ?         ?  
                      ?         ?         ?         ?         ?         ?  
                      ?         ?         ?         ?         ?         ?  
                      ?         ?         ?         ?         ?         ?  

  -50   0   7       19.11     11.45     18.00       ?         ?         ?  
                      ?         ?         ?         ?         ?         ?  
                      ?         ?         ?         ?         ?         ?  
                      ?         ?         ?         ?         ?         ?  

  -50   0   8       17.15     10.66      4.00       ?         ?         ?  
                      ?         ?         ?         ?         ?         ?  
                      ?         ?         ?         ?         ?         ?  
                      ?         ?         ?         ?         ?         ?  

  -50   2   1       27.64     10.34     11.00       ?         ?         ?  
                      ?         ?         ?         ?         ?         ?  
                      ?         ?         ?         ?         ?         ?  
                      ?         ?         ?         ?         ?         ?  

  -50   2   2       38.85      5.87     13.00       ?         ?         ?  
                      ?         ?         ?         ?         ?         ?  
                      ?         ?         ?         ?         ?         ?  
                      ?         ?         ?         ?         ?         ?  

<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
 MTZDUMP:   Normal termination of mtzdump
Times: User:       0.1s System:    0.0s Elapsed:     0:01  
</pre>
</html>
<!--SUMMARY_END-->
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
<pre>
 
 ###############################################################
 ###############################################################
 ###############################################################
 ### CCP4 5.0: MTZDUMP            version 5.0       : 23/01/04##
 ###############################################################
 User: cowtan  Run date: 16/ 6/2004 Run time: 15:31:58 


 Please reference: Collaborative Computational Project, Number 4. 1994.
 "The CCP4 Suite: Programs for Protein Crystallography". Acta Cryst. D50, 760-763.
 as well as any specific reference in the program write-up.

<!--SUMMARY_END--></FONT></B>

 OPENED INPUT MTZ FILE 
 Logical Name: HKLIN   Filename: junk2.mtz 


 Spacegroup information obtained from library file: 
 Logical Name: SYMINFO   Filename: //y/programs/xtal/ccp4-rel/ccp4-5.0/lib/data/syminfo.lib

 * Title:

 From Clipper CCP4MTZfile

 * Base dataset:

        0 HKL_base
          HKL_base
          HKL_base

 * Number of Datasets = 1

 * Dataset ID, project/crystal/dataset names, cell dimensions, wavelength:

        1 proj
          Gere:native
          native
            108.7420   61.6790   71.6520   90.0000   97.1510   90.0000
             1.76000

 * Number of Columns = 8

 * Number of Reflections = 281

 * Missing value set to NaN in input mtz file

 * HISTORY for current MTZ file :


 * Column Labels :

 H K L anom.F_sigF_ano.F+ anom.F_sigF_ano.sigF+ anom.F_sigF_ano.F- anom.F_sigF_ano.sigF- anom.F_sigF_ano.covF+-

 * Column Types :

 H H H G L G L C

 * Associated datasets :

 0 0 0 1 1 1 1 1

 * Cell Dimensions : (obsolete - use crystal cells)

  108.7420   61.6790   71.6520   90.0000   97.1510   90.0000 

 *  Resolution Range :

    0.00020    0.00998     (     71.067 -     10.013 A )

 * Sort Order :

      0     0     0     0     0

 * Space group = 'C121' (number     5)



 OVERALL FILE STATISTICS for resolution range   0.000 -   0.010
 ======================= 


 Col Sort    Min    Max    Num      %     Mean     Mean   Resolution   Type Column
 num order               Missing complete          abs.   Low    High       label 

   1 ASC    -10      10      0  100.00      0.0      4.1  71.07  10.01   H  H
   2 NONE     0       6      0  100.00      2.1      2.1  71.07  10.01   H  K
   3 NONE     0       7      0  100.00      2.7      2.7  71.07  10.01   H  L
   4 NONE   16.0   692.3    43   84.70   212.22   212.22  28.29  10.01   G  anom.F_sigF_ano.F+
   5 NONE    1.2    12.1    43   84.70     4.24     4.24  28.29  10.01   L  anom.F_sigF_ano.sigF+
   6 NONE   28.2   703.8   104   62.99   224.31   224.31  24.75  10.01   G  anom.F_sigF_ano.F-
   7 NONE    1.5    12.4   104   62.99     4.28     4.28  24.75  10.01   L  anom.F_sigF_ano.sigF-
   8 BOTH     ?       ?    281    0.00      ?        ?  -999.00   0.00   C  anom.F_sigF_ano.covF+-


 No. of reflections used in FILE STATISTICS      281



 LIST OF REFLECTIONS
 ===================

  -10   0   1      103.37      2.66       ?         ?         ?  
  -10   0   2      169.70      3.13       ?         ?         ?  
  -10   0   3      150.07      2.90       ?         ?         ?  
  -10   2   1      255.67      4.07    251.48      4.01       ?  
  -10   2   2      175.41      3.06    177.03      3.10       ?  
   -9   1   1      198.12      3.33    191.74      3.27       ?  
   -9   1   2      561.65      8.99    556.77      8.85       ?  
   -9   1   3      264.73      4.13    259.95      4.03       ?  
   -9   1   4      105.78      2.91    105.76      2.56       ?  
   -9   3   1      307.23      4.95    314.95      5.12       ?  
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
 MTZDUMP:   Normal termination of mtzdump
Times: User:       0.0s System:    0.0s Elapsed:     0:00  
</pre>
</html>
<!--SUMMARY_END-->