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###CBF: VERSION 1.5
data_image_1
# category DIFFRN
loop_
_diffrn.id
_diffrn.crystal_id
DIFFRN_ID DIFFRN_CRYSTAL_ID
# category DIFFRN_SOURCE
_diffrn_source.diffrn_id DIFFRN_ID
_diffrn_source.source synchrotron
_diffrn_source.type '?'
# category DIFFRN_RADIATION
_diffrn_radiation.diffrn_id DIFFRN_ID
_diffrn_radiation.wavelength_id L1
# category DIFFRN_RADIATION_WAVELENGTH
_diffrn_radiation_wavelength.id L1
_diffrn_radiation_wavelength.wavelength 1.5418
_diffrn_radiation_wavelength.wt 1.0
# category DIFFRN_DETECTOR
loop_
_diffrn_detector.diffrn_id
_diffrn_detector.id
_diffrn_detector.type
_diffrn_detector.details
_diffrn_detector.number_of_axes
DIFFRN_ID Pilatus6M 'SLS Pilatus 6M' . 3
# category DIFFRN_DETECTOR_AXIS
loop_
_diffrn_detector_axis.detector_id
_diffrn_detector_axis.axis_id
Pilatus6M DETECTOR_Y
Pilatus6M DETECTOR_Z
Pilatus6M DETECTOR_PITCH
# category DIFFRN_DETECTOR_ELEMENT
loop_
_diffrn_detector_element.id
_diffrn_detector_element.detector_id
1 Pilatus6M
# category DIFFRN_DATA_FRAME
_diffrn_data_frame.id frame_1
_diffrn_data_frame.detector_element_id 1
_diffrn_data_frame.detector_id Pilatus6M
_diffrn_data_frame.array_id image_1
_diffrn_data_frame.binary_id 1
# category DIFFRN_MEASUREMENT
loop_
_diffrn_measurement.diffrn_id
_diffrn_measurement.id
_diffrn_measurement.number_of_axes
_diffrn_measurement.method
_diffrn_measurement.details
DIFFRN_ID GONIOMETER 3 oscillation
'.'
# category DIFFRN_MEASUREMENT_AXIS
loop_
_diffrn_measurement_axis.measurement_id
_diffrn_measurement_axis.axis_id
GONIOMETER GONIOMETER_PHI
GONIOMETER GONIOMETER_KAPPA
GONIOMETER GONIOMETER_OMEGA
# category DIFFRN_SCAN
loop_
_diffrn_scan.id
_diffrn_scan.frame_id_start
_diffrn_scan.frame_id_end
_diffrn_scan.frames
SCAN1 FRAME1 FRAME1 1
# category DIFFRN_SCAN_AXIS
loop_
_diffrn_scan_axis.scan_id
_diffrn_scan_axis.axis_id
_diffrn_scan_axis.angle_start
_diffrn_scan_axis.angle_range
_diffrn_scan_axis.angle_increment
_diffrn_scan_axis.displacement_start
_diffrn_scan_axis.displacement_range
_diffrn_scan_axis.displacement_increment
SCAN1 GONIOMETER_OMEGA 0.0 0.0 0.0 0.0 0.0 0.0
SCAN1 GONIOMETER_KAPPA 0.0 0.0 0.0 0.0 0.0 0.0
SCAN1 GONIOMETER_PHI 0.0 0.0 0.0 0.0 0.0 0.0
SCAN1 DETECTOR_Z 0.0 0.0 0.0 0.0 0.0 0.0
SCAN1 DETECTOR_Y 0.0 0.0 0.0 0.0 0.0 0.0
SCAN1 DETECTOR_PITCH 0.0 0.0 0.0 0.0 0.0 0.0
# category DIFFRN_SCAN_FRAME
loop_
_diffrn_scan_frame.frame_id
_diffrn_scan_frame.frame_number
_diffrn_scan_frame.integration_time
_diffrn_scan_frame.scan_id
_diffrn_scan_frame.date
FRAME1 1 0.0 SCAN1 "1997-12-04T10:23:48"
# category DIFFRN_SCAN_FRAME_AXIS
loop_
_diffrn_scan_frame_axis.frame_id
_diffrn_scan_frame_axis.axis_id
_diffrn_scan_frame_axis.angle
_diffrn_scan_frame_axis.displacement
FRAME1 GONIOMETER_OMEGA 0.0 0.0
FRAME1 GONIOMETER_KAPPA 0.0 0.0
FRAME1 GONIOMETER_PHI 0.0 0.0
FRAME1 DETECTOR_Z 0.0 0.0
FRAME1 DETECTOR_Y 0.0 0.0
FRAME1 DETECTOR_PITCH 0.0 0.0
# category AXIS
################################################################################
# #
# This is a fairly general set of axis definitions based on the setup #
# at SLS X06SA as of 22 June 2007 when using the PILATUS 6M SN 1 #
# #
# The actual setup does not have a full goniometer but to show an examples of #
# complete setup, a kappa geometry goniometer has been defined. In the actual#
# beamline there is only one axis, rotating clockwise around x, which we are #
# calling GONIOMETER_PHI, marked as dependent on GONIOMETER_KAPPA, which is #
# dependent on GONIOMETER_OMEGA. As long as GONIOMETER_KAPPA and #
# GONIOMETER_OMEGA are left at their 0 reference position, there should be #
# no harm in leaving them in this template. #
# #
# #
################################################################################
loop_
_axis.id #___
_axis.type #___\___________
_axis.equipment #___|___________\____________
_axis.depends_on #___|___________|____________\______________
_axis.vector[1] #___|___________|____________|______________\__
_axis.vector[2] #___|___________|____________|______________|__\__
_axis.vector[3] #___|___________|____________|______________|__|__\
_axis.offset[1] #___|___________|____________|______________|__|__|___
_axis.offset[2] #___|___________|____________|______________|__|__|___\__
_axis.offset[3] #___|___________|____________|______________|__|__|___|__\__
# | | | | | | | | \
# | | | | | | | | |
######################|###########|############|##############|##|##|###|##|##|
# The SLS Beamline axis convention is similar to the imgCIF convention, but |
# Y and Z run the other way | | | | | | | |
######################|###########|############|##############|##|##|###|##|##|
# | | | | | | | | |
SLS_X general general . 1 0 0 0 0 0
SLS_Y general general . 0 -1 0 0 0 0
SLS_Z general general . 0 0 -1 0 0 0
# | | | | | | | | |
######################|###########|############|##############|##|##|###|##|##|
# We define a kappa geometry with a left-handed omega and phi and a right- | |
# handed kappa. The kappa axis arm is at the top when omega is zero | | |
######################|###########|############|##############|##|##|###|##|##|
# | | | | | | | | |
GONIOMETER_OMEGA rotation goniometer . -1 0 0 . . .
GONIOMETER_KAPPA rotation goniometer GONIOMETER_OMEGA
0.64279 0.76604
0 . . .
GONIOMETER_PHI rotation goniometer GONIOMETER_KAPPA
-1 0 0 . . .
######################|###########|############|##############|##|##|###|##|##|
SOURCE general source . 0 0 1 . . .
GRAVITY general gravity . 0 -1 0 . . .
######################|###########|############|##############|##|##|###|##|##|
# | | | | | | | | |
######################|###########|############|##############|##|##|###|##|##|
# The detector is assumed to be mounted on an arm parallel to the beam | |
# with a DETECTOR_Y vertical translation and a pitch axis | |
######################|###########|############|##############|##|##|###|##|##|
# | | | | | | | | |
DETECTOR_Z translation detector . 0 0 -1 0 0 0
DETECTOR_Y translation detector DETECTOR_Z 0 -1 0 0 0 0
DETECTOR_PITCH rotation detector DETECTOR_Y 1 0 0 0 0 0
######################|###########|############|##############|##|##|###|##|##|
# This detector is assumed to have the 0,0 corner at +X and -Y | | | | |
# we assume a 2463 x 2527 detector on a 0.172 mm pixel pitch | | | | |
######################|###########|############|##############|##|##|###|##|##|
# | | | | | | | | |
ELEMENT_X translation detector DETECTOR_PITCH 1 0 0
211.818 -217.322 0
ELEMENT_Y translation detector ELEMENT_X 0 1 0 0 0 0
# category ARRAY_STRUCTURE_LIST
loop_
_array_structure_list.array_id
_array_structure_list.axis_set_id
_array_structure_list.index
_array_structure_list.dimension
_array_structure_list.precedence
_array_structure_list.direction
image_1 ELEMENT_X 1 2463 1 increasing
image_1 ELEMENT_Y 2 2527 2 increasing
# category ARRAY_STRUCTURE_LIST_AXIS
loop_
_array_structure_list_axis.axis_set_id
_array_structure_list_axis.axis_id
_array_structure_list_axis.displacement
_array_structure_list_axis.displacement_increment
ELEMENT_X ELEMENT_X -0.086 -0.172
ELEMENT_Y ELEMENT_Y 0.086 0.172
# category ARRAY_INTENSITIES
loop_
_array_intensities.array_id
_array_intensities.binary_id
_array_intensities.linearity
_array_intensities.gain
_array_intensities.gain_esd
_array_intensities.overload
_array_intensities.undefined_value
image_1 1 linear 1 . 67000000 -3
# category ARRAY_STRUCTURE
loop_
_array_structure.id
_array_structure.encoding_type
_array_structure.compression_type
_array_structure.byte_order
image_1 "signed 32-bit integer" byte_offset little_endian
# category ARRAY_ELEMENT_SIZE
loop_
_array_element_size.array_id
_array_element_size.index
_array_element_size.size
image_1 1 0.172e-3
image_1 2 0.172e-3
# category ARRAY_INTENSITIES
_array_intensities.array_id image_1
_array_intensities.binary_id 1
_array_intensities.linearity linear
# category ARRAY_DATA
_array_data.header_convention SLS_1.0
_array_data.header_contents .
_array_data.array_id image_1
_array_data.binary_id 1
_array_data.data .
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