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|
#######
# <a name="MAP">MAP</a> #
#######
save_MAP
_category.description
; Data items in the <a href="#MAP">MAP</a> category record
the details of a maps. Maps record values of parameters,
such as density, that are functions of position within
a cell or are functions of orthogonal coordinates in
three space.
A map may is composed of one or more map segments
specified in the MAP_SEGMENT category.
Maps are optionally keyed to a particular _diffrn.id
or to a particular _entry.id, so that multiple maps
for different data collections or entries may be
collected in one data block.
Examples are given in the MAP_SEGMENT category.
;
_category.id map
_category.mandatory_code no
loop_
_category_key.name '<a href="#_map.id" >_map.id</a>'
'<a href="#_map.diffrn_id" >_map.diffrn_id</a>'
'<a href="#_map.entry_id" >_map.entry_id</a>'
loop_
_category_group.id 'inclusive_group'
'array_data_group'
loop_
_category_examples.detail
_category_examples.case
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
; Example 1 - Identifying an observed density map
and a calculated density map
;
;
loop_
<a href="#_map.id" >_map.id</a>
<a href="#_map.details" >_map.details</a>
rho_calc
;
density calculated from F_calc derived from the ATOM_SITE list
;
rho_obs
;
density combining the observed structure factors with the
calculated phases
;
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
save_
save_<a name="_map.details" >_map.details</a>
_item_description.description
; The value of <a href="#_map.details" >_map.details</a> should give a
description of special aspects of each map.
;
_item.name '<a name="_map.details" >_map.details</a>'
_item.category_id map
_item.mandatory_code no
_item_type.code text
loop_
_item_examples.case
_item_examples.detail
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
; Example 1 - Identifying an observed density map
and a calculated density map
;
;
loop_
<a href="#_map.id" >_map.id</a>
<a href="#_map.details" >_map.details</a>
rho_calc
;
density calculated from F_calc derived from the ATOM_SITE list
;
rho_obs
;
density combining the observed structure factors with the
calculated phases
;
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
save_
save_<a name="_map.diffrn_id" >_map.diffrn_id</a>
_item_description.description
; This item is a pointer to <a href="#_diffrn.id" >_diffrn.id</a> in the
<a href="#DIFFRN">DIFFRN</a> category.
;
_item.name '<a href="#_map.diffrn_id" >_map.diffrn_id</a>'
_item.category_id map
_item.mandatory_code implicit
_item_type.code code
save_
save_<a name="_map.entry_id" >_map.entry_id</a>
_item_description.description
; This item is a pointer to <a href="#_entry.id" >_entry.id</a> in the
<a href="#ENTRY">ENTRY</a> category.
;
_item.name '<a href="#_map.entry_id" >_map.entry_id</a>'
_item.category_id map
_item.mandatory_code implicit
_item_type.code code
save_
save_<a name="_map.id" >_map.id</a>
_item_description.description
; The value of <a href="#_map.id" >_map.id</a> must uniquely identify
each map for the given diffrn.id or entry.id.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'<a href="#_map.id" >_map.id</a>' map yes
'<a href="#_map_segment.id" >_map_segment.id</a>' map_segment yes
_item_type.code code
loop_
_item_linked.child_name
_item_linked.parent_name
'<a href="#_map_segment.id" >_map_segment.id</a>' '<a href="#_map.id" >_map.id</a>'
save_
###########################
# <a name="MAP_SEGMENT">MAP_SEGMENT</a> #
###########################
save_MAP_SEGMENT
_category.description
; Data items in the <a href="#MAP_SEGMENT">MAP_SEGMENT</a> category record
the details about each segment (section or brick) of a map.
;
_category.id map_segment
_category.mandatory_code no
loop_
_category_key.name '<a href="#_map_segment.id" >_map_segment.id</a>'
'<a href="#_map_segment.map_id" >_map_segment.map_id</a>'
loop_
_category_group.id 'inclusive_group'
'array_data_group'
loop_
_category_examples.detail
_category_examples.case
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
; Example 1 - Identifying an observed density map
and a calculated density map, each consisting of one
segment, both using the same array structure
and mask.
;
;
loop_
<a href="#_map.id" >_map.id</a>
<a href="#_map.details" >_map.details</a>
rho_calc
;
density calculated from F_calc derived from the ATOM_SITE list
;
rho_obs
;
density combining the observed structure factors with the
calculated phases
;
loop_
_map_segment.map_id
_map_segment.id
_map_segment.array_id
_map_segment.binary_id
_map_segment.mask_array_id
_map_segment.mask_binary_id
rho_calc rho_calc map_structure 1 mask_structure 1
rho_obs rho_obs map_structure 2 mask_structure 1
# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
save_
save_<a name="_map_segment.array_id" >_map_segment.array_id</a>
_item_description.description
; The value of _map_segment.array_id identifies the array structure
into which the map is organized.
This item is a pointer to <a href="#_array_structure.id" >_array_structure.id</a> in the
<a href="#ARRAY_STRUCTURE">ARRAY_STRUCTURE</a> category.
;
_item.name '<a href="#_map_segement.array_id" >_map_segment.array_id</a>'
_item.category_id map_segment
_item.mandatory_code yes
_item_type.code code
save_
save_<a name="_map_segment.binary_id" >_map_segment.binary_id</a>
_item_description.description
; The value of _map_segment.binary_id distinguishes the particular set
of data organized according to _map_segment.array_id in which
the data values of the map are stored.
This item is a pointer to <a href="#_array_data.binary_id" >_array_data.binary_id</a> in the
<a href="#ARRAY_DATA">ARRAY_DATA</a> category.
;
_item.name '<a href="#_map_segment.binary_id" >_map_segment.binary_id</a>'
_item.category_id map_segment
_item.mandatory_code implicit
_item_type.code int
save_
save_<a name="_map_segment.mask_array_id" >_map_segment.mask_array_id</a>
_item_description.description
; The value of _map_segment.mask_array_id, if given, the array structure
into which the mask for the map is organized. If no value is given,
then all elements of the map are valid. If a value is given, then
only elements of the map for which the corresponding element of
the mask is non-zero are valid. The value of
_map_segment.mask_array_id differ from the value of
_map_segment.array_id in order to permit the mask to be given
as, say, unsigned 8-bit integers, while the map is given as
a data type with more range. However, the two array structures
must be aligned, using the same axes in the same order with the
same displacements and increments
This item is a pointer to <a href="#_array_structure.id" >_array_structure.id</a> in the
<a href="#ARRAY_STRUCTURE">ARRAY_STRUCTURE</a> category.
;
_item.name '<a href="#_map_segment.mask_array_id" >_map_segment.mask_array_id</a>'
_item.category_id map_segment
_item.mandatory_code no
_item_type.code code
save_
save_<a name="_map_segment.mask_binary_id" >_map_segment.mask_binary_id</a>
_item_description.description
; The value of _map_segment.mask_binary_id identifies the particular set
of data organized according to _map_segment.mask_array_id specifying
the mask for the map.
This item is a pointer to <a href="#_array_data.mask_binary_id" >_array_data.mask_binary_id</a> in the
<a href="#ARRAY_DATA">ARRAY_DATA</a> category.
;
_item.name '<a href="#_map_segment.mask_binary_id" >_map_segment.mask_binary_id</a>'
_item.category_id map_segment
_item.mandatory_code implicit
_item_type.code int
save_
save_<a name="_map_segment.id" >_map_segment.id</a>
_item_description.description
; The value of <a href="#_map_segment.id" >_map_segment.id</a> must uniquely
identify each segment of a map.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'<a href="#_map_segment.id" >_map_segment.id</a>'
map_segment
yes
_item_type.code code
loop_
_item_linked.child_name
_item_linked.parent_name
'<a href="#_map_data_frame.map_segment_id" >_map_data_frame.map_segment_id</a>'
'<a href="#_map_segment.id" >_map_segment.id</a>'
save_
save_<a name="_map_segment.map_id" >_map_segment.map_id</a>
_item_description.description
; This item is a pointer to <a href="#_map.id" >_map.id</a>
in the <a href="#MAP">MAP</a> category.
;
_item.name '<a href="#_map_segment.map_id" >_map_segment.map_id</a>'
_item.category_id map_segment
_item.mandatory_code yes
_item_type.code code
save_
save_<a name="_map_segment.details" >_map_segment.details</a>
_item_description.description
; The value of <a href="#_map_segment.details" >_map_segment.details</a> should give a
description of special aspects of each segment of a map.
;
_item.name '<a name="_map_segment.details" >_map_segment.details</a>'
_item.category_id map_segment
_item.mandatory_code no
_item_type.code text
loop_
_item_examples.case
_item_examples.detail
; Example to be provided
;
;
;
save_
|
