Data Category diffrn_scan
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General 
- Category name
- diffrn_scan
- Required in PDB entries
- no
- Category group membership
- diffrn_group
- Used in current PDB entries
- No
Category Relationship Diagrams 
View full category relationship diagram including all dictionary data categories
Category Description
Data items in the DIFFRN_SCAN category describe the parameters of one
or more scans, relating axis positions to frames.
NeXus Mapping Details
_diffrn_scan.id SCANID
_diffrn_scan.date_end ENDDATETIME
_diffrn_scan.date_end_estimated ENDDATETIMEEST
_diffrn_scan.date_start STARTDATETIME
_diffrn_scan.integration_time AVGCOUNTTIME
_diffrn_scan.frame_id_start FRAMESTARTID
_diffrn_scan.frame_id_end FRAMEENDID
_diffrn_scan.frames FRAMES
_diffrn_scan.time_period TIMEPER
_diffrn_scan.time_rstrt_incr RSTRTTIME
-->
/entry:NXentry
/CBF_scan_id="SCANID"
/end_time=ENDDATETIME
/end_time_estimated=ENDDATETIMEEST
/start_time=STARTDATETIME
/average_count_time=AVGCOUNTTIME
@units="sec"
/average_frame_time=TIMEPER
@units="sec"
/average_frame_restart_time=RSTRTTIME
@units="sec"
/instrument:NXinstrument
/DETECTORNAME:NXdetector_group
/DETECTORELEMENTNAME:NXdetector
/frame_start_number=FRAMESTARTNO
/frame_end_number=FRAMEENDNO
FRAMESTARTNO is the value of _diffrn_scan_frame.frame_number
for which the value of _diffrn_scan_frame.frame_id equals FRAMESTARTID
FRAMEENDNO is the value of _diffrn_scan_frame.frame_number
for which the value of _diffrn_scan_frame.frame_id equals FRAMEENDID
Category Example1
_diffrn_scan.id 1
_diffrn_scan.date_start '2001-11-18T03:26:42'
_diffrn_scan.date_end_estimated '2001-11-18T03:36:45'
_diffrn_scan.date_end '2001-11-18T03:36:45'
_diffrn_scan.integration_time 3.0
_diffrn_scan.frame_id_start mad_L2_000
_diffrn_scan.frame_id_end mad_L2_200
_diffrn_scan.frames 201
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
1 omega 200.0 20.0 0.1 . . .
1 kappa -40.0 0.0 0.0 . . .
1 phi 127.5 0.0 0.0 . . .
1 tranz . . . 2.3 0.0 0.0
_diffrn_scan_frame.scan_id 1
_diffrn_scan_frame.date '2001-11-18T03:27:33'
_diffrn_scan_frame.integration_time 3.0
_diffrn_scan_frame.frame_id mad_L2_018
_diffrn_scan_frame.frame_number 18
loop_
_diffrn_scan_frame_axis.frame_id
_diffrn_scan_frame_axis.axis_id
_diffrn_scan_frame_axis.angle
_diffrn_scan_frame_axis.angle_increment
_diffrn_scan_frame_axis.displacement
_diffrn_scan_frame_axis.displacement_increment
mad_L2_018 omega 201.8 0.1 . .
mad_L2_018 kappa -40.0 0.0 . .
mad_L2_018 phi 127.5 0.0 . .
mad_L2_018 tranz . . 2.3 0.0
Category Example2
###CBF: VERSION 1.1
data_image_1
# category DIFFRN
_diffrn.id P6MB
_diffrn.crystal_id P6MB_CRYSTAL7
# category DIFFRN_SOURCE
loop_
_diffrn_source.diffrn_id
_diffrn_source.source
_diffrn_source.type
P6MB synchrotron 'SSRL beamline 9-1'
# category DIFFRN_RADIATION
loop_
_diffrn_radiation.diffrn_id
_diffrn_radiation.wavelength_id
_diffrn_radiation.monochromator
_diffrn_radiation.polarizn_source_ratio
_diffrn_radiation.polarizn_source_norm
_diffrn_radiation.div_x_source
_diffrn_radiation.div_y_source
_diffrn_radiation.div_x_y_source
P6MB WAVELENGTH1 'Si 111' 0.8 0.0 0.08 0.01 0.00
# category DIFFRN_RADIATION_WAVELENGTH
loop_
_diffrn_radiation_wavelength.id
_diffrn_radiation_wavelength.wavelength
_diffrn_radiation_wavelength.wt
WAVELENGTH1 0.98 1.0
# category DIFFRN_DETECTOR
loop_
_diffrn_detector.diffrn_id
_diffrn_detector.id
_diffrn_detector.type
_diffrn_detector.number_of_axes
P6MB MAR345-SN26 'MAR 345' 4
# category DIFFRN_DETECTOR_AXIS
loop_
_diffrn_detector_axis.detector_id
_diffrn_detector_axis.axis_id
MAR345-SN26 DETECTOR_X
MAR345-SN26 DETECTOR_Y
MAR345-SN26 DETECTOR_Z
MAR345-SN26 DETECTOR_PITCH
# category DIFFRN_DETECTOR_ELEMENT
loop_
_diffrn_detector_element.id
_diffrn_detector_element.detector_id
ELEMENT1 MAR345-SN26
# category DIFFRN_DATA_FRAME
loop_
_diffrn_data_frame.id
_diffrn_data_frame.detector_element_id
_diffrn_data_frame.array_id
_diffrn_data_frame.binary_id
FRAME1 ELEMENT1 ARRAY1 1
# category DIFFRN_MEASUREMENT
loop_
_diffrn_measurement.diffrn_id
_diffrn_measurement.id
_diffrn_measurement.number_of_axes
_diffrn_measurement.method
P6MB GONIOMETER 3 rotation
# 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 12.0 1.0 1.0 0.0 0.0 0.0
SCAN1 GONIOMETER_KAPPA 23.3 0.0 0.0 0.0 0.0 0.0
SCAN1 GONIOMETER_PHI -165.8 0.0 0.0 0.0 0.0 0.0
SCAN1 DETECTOR_Z 0.0 0.0 0.0 -240.0 0.0 0.0
SCAN1 DETECTOR_Y 0.0 0.0 0.0 0.6 0.0 0.0
SCAN1 DETECTOR_X 0.0 0.0 0.0 -0.5 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 20.0 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 12.0 0.0
FRAME1 GONIOMETER_KAPPA 23.3 0.0
FRAME1 GONIOMETER_PHI -165.8 0.0
FRAME1 DETECTOR_Z 0.0 -240.0
FRAME1 DETECTOR_Y 0.0 0.6
FRAME1 DETECTOR_X 0.0 -0.5
FRAME1 DETECTOR_PITCH 0.0 0.0
# category AXIS
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]
GONIOMETER_OMEGA rotation goniometer . 1 0 0 . . .
GONIOMETER_KAPPA rotation goniometer GONIOMETER_OMEGA 0.64279
0 0.76604 . . .
GONIOMETER_PHI rotation goniometer GONIOMETER_KAPPA 1 0 0
. . .
SOURCE general source . 0 0 1 . . .
GRAVITY general gravity . 0 -1 0 . . .
DETECTOR_Z translation detector . 0 0 1 0 0 0
DETECTOR_Y translation detector DETECTOR_Z 0 1 0 0 0 0
DETECTOR_X translation detector DETECTOR_Y 1 0 0 0 0 0
DETECTOR_PITCH rotation detector DETECTOR_X 0 1 0 0 0 0
ELEMENT_X translation detector DETECTOR_PITCH
1 0 0 172.43 -172.43 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.index
_array_structure_list.dimension
_array_structure_list.precedence
_array_structure_list.direction
_array_structure_list.axis_set_id
ARRAY1 1 2300 1 increasing ELEMENT_X
ARRAY1 2 2300 2 increasing ELEMENT_Y
# 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 0.075 0.150
ELEMENT_Y ELEMENT_Y 0.075 0.150
# category ARRAY_ELEMENT_SIZE
loop_
_array_element_size.array_id
_array_element_size.index
_array_element_size.size
ARRAY1 1 150e-6
ARRAY1 2 150e-6
# 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
ARRAY1 1 linear 1.15 0.2 240000 0
# category ARRAY_STRUCTURE
loop_
_array_structure.id
_array_structure.encoding_type
_array_structure.compression_type
_array_structure.byte_order
ARRAY1 "signed 32-bit integer" packed little_endian
# category ARRAY_DATA
loop_
_array_data.array_id
_array_data.binary_id
_array_data.data
ARRAY1 1
;
--CIF-BINARY-FORMAT-SECTION--
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conversions="X-CBF_PACKED"
Content-Transfer-Encoding: BASE64
X-Binary-Size: 3801324
X-Binary-ID: 1
X-Binary-Element-Type: "signed 32-bit integer"
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AABRAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAZBQSr1sKNBOeOe9HITdMdDUnbq7bg
...
8REo6TtBrxJ1vKqAvx9YDMD6J18Qg83OMr/tgssjMIJMXATDsZobL90AEXc4KigE
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;
Category Example3
###CBF: VERSION 1.1
data_image_1
# category DIFFRN
_diffrn.id P6MB
_diffrn.crystal_id P6MB_CRYSTAL7
# category DIFFRN_SOURCE
loop_
_diffrn_source.diffrn_id
_diffrn_source.source
_diffrn_source.type
P6MB synchrotron 'SSRL beamline 9-1'
# category DIFFRN_RADIATION
loop_
_diffrn_radiation.diffrn_id
_diffrn_radiation.wavelength_id
_diffrn_radiation.monochromator
_diffrn_radiation.polarizn_source_ratio
_diffrn_radiation.polarizn_source_norm
_diffrn_radiation.div_x_source
_diffrn_radiation.div_y_source
_diffrn_radiation.div_x_y_source
P6MB WAVELENGTH1 'Si 111' 0.8 0.0 0.08 0.01 0.00
# category DIFFRN_RADIATION_WAVELENGTH
loop_
_diffrn_radiation_wavelength.id
_diffrn_radiation_wavelength.wavelength
_diffrn_radiation_wavelength.wt
WAVELENGTH1 0.98 1.0
# category DIFFRN_DETECTOR
loop_
_diffrn_detector.diffrn_id
_diffrn_detector.id
_diffrn_detector.type
_diffrn_detector.number_of_axes
P6MB MAR345-SN26 'MAR 345' 4
# category DIFFRN_DETECTOR_AXIS
loop_
_diffrn_detector_axis.detector_id
_diffrn_detector_axis.axis_id
MAR345-SN26 DETECTOR_X
MAR345-SN26 DETECTOR_Y
MAR345-SN26 DETECTOR_Z
MAR345-SN26 DETECTOR_PITCH
# category DIFFRN_DETECTOR_ELEMENT
loop_
_diffrn_detector_element.id
_diffrn_detector_element.detector_id
ELEMENT1 MAR345-SN26
# category DIFFRN_DATA_FRAME
loop_
_diffrn_data_frame.id
_diffrn_data_frame.detector_element_id
_diffrn_data_frame.array_id
_diffrn_data_frame.binary_id
FRAME1 ELEMENT1 ARRAY1 1
# category DIFFRN_MEASUREMENT
loop_
_diffrn_measurement.diffrn_id
_diffrn_measurement.id
_diffrn_measurement.number_of_axes
_diffrn_measurement.method
P6MB GONIOMETER 3 rotation
# 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 12.0 1.0 1.0 0.0 0.0 0.0
SCAN1 GONIOMETER_KAPPA 23.3 0.0 0.0 0.0 0.0 0.0
SCAN1 GONIOMETER_PHI -165.8 0.0 0.0 0.0 0.0 0.0
SCAN1 DETECTOR_Z 0.0 0.0 0.0 -240.0 0.0 0.0
SCAN1 DETECTOR_Y 0.0 0.0 0.0 0.6 0.0 0.0
SCAN1 DETECTOR_X 0.0 0.0 0.0 -0.5 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 20.0 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 12.0 0.0
FRAME1 GONIOMETER_KAPPA 23.3 0.0
FRAME1 GONIOMETER_PHI -165.8 0.0
FRAME1 DETECTOR_Z 0.0 -240.0
FRAME1 DETECTOR_Y 0.0 0.6
FRAME1 DETECTOR_X 0.0 -0.5
FRAME1 DETECTOR_PITCH 0.0 0.0
# category AXIS
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]
GONIOMETER_OMEGA rotation goniometer . 1 0 0 . . .
GONIOMETER_KAPPA rotation goniometer GONIOMETER_OMEGA 0.64279
0 0.76604 . . .
GONIOMETER_PHI rotation goniometer GONIOMETER_KAPPA 1 0 0
. . .
SOURCE general source . 0 0 1 . . .
GRAVITY general gravity . 0 -1 0 . . .
DETECTOR_Z translation detector . 0 0 1 0 0 0
DETECTOR_Y translation detector DETECTOR_Z 0 1 0 0 0 0
DETECTOR_X translation detector DETECTOR_Y 1 0 0 0 0 0
DETECTOR_PITCH rotation detector DETECTOR_X 0 1 0 0 0 0
ELEMENT_ROT translation detector DETECTOR_PITCH 0 0 1 0 0 0
ELEMENT_RAD translation detector ELEMENT_ROT 0 1 0 0 0 0
# category ARRAY_STRUCTURE_LIST
loop_
_array_structure_list.array_id
_array_structure_list.index
_array_structure_list.dimension
_array_structure_list.precedence
_array_structure_list.direction
_array_structure_list.axis_set_id
ARRAY1 1 8309900 1 increasing ELEMENT_SPIRAL
# category ARRAY_STRUCTURE_LIST_AXIS
loop_
_array_structure_list_axis.axis_set_id
_array_structure_list_axis.axis_id
_array_structure_list_axis.angle
_array_structure_list_axis.displacement
_array_structure_list_axis.angular_pitch
_array_structure_list_axis.radial_pitch
ELEMENT_SPIRAL ELEMENT_ROT 0 . 0.075 .
ELEMENT_SPIRAL ELEMENT_RAD . 172.5 . -0.150
# category ARRAY_ELEMENT_SIZE
# the actual pixels are 0.075 by 0.150 mm
# We give the coarser dimension here.
loop_
_array_element_size.array_id
_array_element_size.index
_array_element_size.size
ARRAY1 1 150e-6
# 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
ARRAY1 1 linear 1.15 0.2 240000 0
# category ARRAY_STRUCTURE
loop_
_array_structure.id
_array_structure.encoding_type
_array_structure.compression_type
_array_structure.byte_order
ARRAY1 "signed 32-bit integer" packed little_endian
# category ARRAY_DATA
loop_
_array_data.array_id
_array_data.binary_id
_array_data.data
ARRAY1 1
;
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Content-Type: application/octet-stream;
conversions="X-CBF_PACKED"
Content-Transfer-Encoding: BASE64
X-Binary-Size: 3801324
X-Binary-ID: 1
X-Binary-Element-Type: "signed 32-bit integer"
Content-MD5: 07lZFvF+aOcW85IN7usl8A==
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...
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;
