
###CBF: VERSION 0.6
# CBF file written by cbflib v0.6



data_image_1



loop_
_diffrn.id
_diffrn.crystal_id
 DS1 DIFFRN_CRYSTAL_ID

loop_
_cell.length_a                     5.959(1)
_cell.length_b                     14.956(1)
_cell.length_c                     19.737(3)
_cell.angle_alpha                  90
_cell.angle_beta                   90
_cell.angle_gamma                  90


loop_
_diffrn_orient_matrix.id 'DS1'
_diffrn_orient_matrix.type 
; reciprocal axis matrix, multiplies hkl vector to generate
  diffractometer xyz vector and diffractometer angles
;
_diffrn_orient_matrix.UB[1][1]            0.11
_diffrn_orient_matrix.UB[1][2]            0.12
_diffrn_orient_matrix.UB[1][3]            0.13
_diffrn_orient_matrix.UB[2][1]            0.21
_diffrn_orient_matrix.UB[2][2]            0.22
_diffrn_orient_matrix.UB[2][3]            0.23
_diffrn_orient_matrix.UB[3][1]            0.31
_diffrn_orient_matrix.UB[3][2]            0.32
_diffrn_orient_matrix.UB[3][3]            0.33




loop_
_diffrn_source.diffrn_id
_diffrn_source.source
_diffrn_source.current
_diffrn_source.type
 DS1 synchrotron 200.0 'XMAS beamline bm28 ESRF'

loop_
_diffrn_radiation.diffrn_id
_diffrn_radiation.wavelength_id
_diffrn_radiation.probe
_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
_diffrn_radiation.collimation
 DS1 WAVELENGTH1 x-ray 'Si 111' 0.8 0.0 0.08 0.01 0.00 '0.20 mm x 0.20 mm'

loop_
_diffrn_radiation_wavelength.id
_diffrn_radiation_wavelength.wavelength
_diffrn_radiation_wavelength.wt
 WAVELENGTH1 1.73862 1.0

loop_
_diffrn_detector.diffrn_id
_diffrn_detector.id
_diffrn_detector.type
_diffrn_detector.details
_diffrn_detector.number_of_axes
 DS1 MAR 'MAR XMAS' 'slow mode' 5

loop_
_diffrn_detector_axis.detector_id
_diffrn_detector_axis.axis_id
 MAR DETECTOR_TWO_THETA_VERTICAL
 MAR DETECTOR_X
 MAR DETECTOR_Y
 MAR DETECTOR_Z
 MAR DETECTOR_PITCH

loop_
_diffrn_detector_element.id
_diffrn_detector_element.detector_id
 ELEMENT1 MAR

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

loop_
_diffrn_measurement.diffrn_id
_diffrn_measurement.id
_diffrn_measurement.number_of_axes
_diffrn_measurement.method
_diffrn_measurement.details
 DS1 GONIOMETER 3 rotation
 'i0=1.000 i1=1.000 i2=1.000 ib=1.000 beamstop=20 mm 0% attenuation'

loop_
_diffrn_measurement_axis.measurement_id
_diffrn_measurement_axis.axis_id
 GONIOMETER GONIOMETER_PHI
 GONIOMETER GONIOMETER_CHI
 GONIOMETER GONIOMETER_THETA


loop_
_diffrn_scan.id
_diffrn_scan.frame_id_start
_diffrn_scan.frame_id_end
_diffrn_scan.frames
 SCAN1 FRAME1 FRAME1 1

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_THETA 0.0 0.0 0.0 0.0 0.0 0.0
 SCAN1 GONIOMETER_CHI 0.0 0.0 0.0 0.0 0.0 0.0
 SCAN1 GONIOMETER_PHI 185 1 1 0.0 0.0 0.0
 SCAN1 DETECTOR_TWO_THETA_VERTICAL 0.0 0.0 0.0 0.0 0.0 0.0
 SCAN1 DETECTOR_Z 0.0 0.0 0.0 103.750 0 0
 SCAN1 DETECTOR_Y 0.0 0.0 0.0 0.0 0.0 0.0
 SCAN1 DETECTOR_X 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

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 1 360 SCAN1 1997-12-04T10:23:48

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_THETA 0.0 0.0
 FRAME1 GONIOMETER_CHI 0.0 0.0
 FRAME1 GONIOMETER_PHI 185 0.0
 FRAME1 DETECTOR_TWO_THETA_VERTICAL 185 0.0
 FRAME1 DETECTOR_Z 0.0 103.750
 FRAME1 DETECTOR_Y 0.0 0.0
 FRAME1 DETECTOR_X 0.0 0.0
 FRAME1 DETECTOR_PITCH 0.0 0.0

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_THETA rotation goniometer . 1 0 0 . . .
 GONIOMETER_CHI rotation goniometer GONIOMETER_THETA 0 0 1 . . .
 GONIOMETER_PHI rotation goniometer GONIOMETER_PHI 1 0 0 . . .
 SOURCE general source . 0 0 1 . . .
 GRAVITY general gravity . 0 -1 0 . . .
 DETECTOR_TWO_THETA_VERTICAL rotation goniometer . 1 0 0 . . .
 DETECTOR_Z translation detector DETECTOR_TWO_THETA_VERTICAL 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 -94.0032 94.0032 0
 ELEMENT_Y translation detector ELEMENT_X 0 1 0 0 0 0

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 2049 1 increasing ELEMENT_X
 ARRAY1 2 2049 2 increasing ELEMENT_Y

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 0.0408 0.0816
 ELEMENT_Y ELEMENT_Y -0.0408 -0.0816

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 0.30 0.03 65000 0

loop_
_array_structure.id
_array_structure.encoding_type
_array_structure.compression_type
_array_structure.byte_order
 ARRAY1 "signed 32-bit integer" packed little_endian
