[Layout]: ESRF ID23

[jamesrhester]

Facility name

ESRF

Beamline name

ID23

Is updated?

• [ ] Is an update

Start date

No response

Finish date

2018-04-18

Principal axis orientation

0

Goniometer axes

omega, c

Rotation axis name

omega

kappa

No response

Image orientation

top left

Fast direction

horizontal

Pixel size

0.172, 0.172

Number of pixels

2463, 2527

Detector axes

No response

xds.inp

BACKGROUND_RANGE= 1 10

   !masking non sensitive area of Pilatus
   UNTRUSTED_RECTANGLE= 487  495     0 2528
   UNTRUSTED_RECTANGLE= 981  989     0 2528
   UNTRUSTED_RECTANGLE=1475 1483     0 2528
   UNTRUSTED_RECTANGLE=1969 1977     0 2528
   UNTRUSTED_RECTANGLE=   0 2464   195  213
   UNTRUSTED_RECTANGLE=   0 2464   407  425
   UNTRUSTED_RECTANGLE=   0 2464   619  637
   UNTRUSTED_RECTANGLE=   0 2464   831  849
   UNTRUSTED_RECTANGLE=   0 2464  1043 1061
   UNTRUSTED_RECTANGLE=   0 2464  1255 1273
   UNTRUSTED_RECTANGLE=   0 2464  1467 1485
   UNTRUSTED_RECTANGLE=   0 2464  1679 1697
   UNTRUSTED_RECTANGLE=   0 2464  1891 1909
   UNTRUSTED_RECTANGLE=   0 2464  2103 2121
   UNTRUSTED_RECTANGLE=   0 2464  2315 2333
   TRUSTED_REGION=0.0 1.41 !Relative radii limiting trusted detector region

   !correction tables to compensate the misorientations of the modules

X-GEO_CORR=./x_geo_corr.cbf
Y-GEO_CORR=./y_geo_corr.cbf

   MINIMUM_NUMBER_OF_PIXELS_IN_A_SPOT= 3

   !STRONG_PIXEL= 3.0

   OSCILLATION_RANGE= 0.1500
   STARTING_ANGLE= 101.0
   STARTING_FRAME= 1
   X-RAY_WAVELENGTH=  0.97200
NAME_TEMPLATE_OF_DATA_FRAMES= ../data/270218_C124_SQ109_B4_CRYO_14_w1_1_????.cbf

   !STARTING_ANGLES_OF_SPINDLE_ROTATION= 0 180 10
   !TOTAL_SPINDLE_ROTATION_RANGES= 60 180 10

   DETECTOR_DISTANCE= 155.00
   DETECTOR= PILATUS MINIMUM_VALID_PIXEL_VALUE= 0.0 OVERLOAD= 1048500

   SENSOR_THICKNESS=0.32
   ORGX= 1217.51 ORGY= 1266.16
   NX= 2463 NY= 2527
   QX= 0.1720  QY= 0.1720
   VALUE_RANGE_FOR_TRUSTED_DETECTOR_PIXELS= 7000 30000

   DIRECTION_OF_DETECTOR_X-AXIS= 1.0 0.0 0.0
   DIRECTION_OF_DETECTOR_Y-AXIS= 0.0 1.0 0.0
   ROTATION_AXIS= 1.0 0.0 0.0
   INCIDENT_BEAM_DIRECTION= 0.0 0.0 1.0
   FRACTION_OF_POLARIZATION= 0.99
   POLARIZATION_PLANE_NORMAL= 0.0 1.0 0.0

SPACE_GROUP_NUMBER=4 
UNIT_CELL_CONSTANTS= 51.38 75.12 56.46 90.0 107.03 90.0 

INCLUDE_RESOLUTION_RANGE= 30 1.25
   !RESOLUTION_SHELLS= 15.0 8.0 4.0 2.8 2.4
   !FRIEDEL'S_LAW= FALSE !default is TRUE
   !STRICT_ABSORPTION_CORRECTION=TRUE

   REFINE(INTEGRATE)= BEAM ORIENTATION CELL
   !== Default value recommended
   !DELPHI= %.3f
BEAM_DIVERGENCE_E.S.D.=     0.042
REFLECTING_RANGE_E.S.D.=     0.123
MAXIMUM_NUMBER_OF_PROCESSORS= 3  
MAXIMUM_NUMBER_OF_JOBS=       2  
SPOT_RANGE=591 601

SPOT_RANGE=291 301

FRIEDEL'S_LAW=TRUE
SPOT_RANGE=591 601

SPOT_RANGE=291 301

Data DOI

https://zenodo.org/record/3816663/files/CYP124_SQ109.tar.bz2

Comments

Rotation axis based on XDS.INP having rotation axis parallel to detx and in same direction.

[jamesrhester]

For reference, command to create data-specific part of imgcif file for above dataset that matches with issue_to_imgcif.jl axis names is:

julia cbf_scan_extractor.jl -l https://zenodo.org/record/3816663/files/CYP124_SQ109.tar.bz2 -i -o cyp124_test.cif -a distance trans -a angle omega -a detector_2theta two_theta CYP124_SQ109/data

[jamesrhester]

And the final verified information is:

_audit.block_id ESRF_ID23
_diffrn_source.beamline ID23
_diffrn_source.facility ESRF
    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]
         omega      rotation     goniometer  .          1  0   0   0
         0                        0
         source     .            source      .          0  0   1   0
         0                        0
         gravity    .            gravity     .          0  -1  0   0
         0                        0
         two_theta  rotation     detector    .          1  0   0   0
         0                        0
         trans      translation  detector    two_theta  0  0   -1  0
         0                        0
         detx       translation  detector    trans      1  0   0   -209.41100
         217.7795                0
         dety       translation  detector    detx       0  -1  0   0
         0                        0
    loop_
      _array_structure_list_axis.axis_id
      _array_structure_list_axis.axis_set_id
      _array_structure_list_axis.displacement
      _array_structure_list_axis.displacement_increment
         detx                  1                  0.086                  0.172
         dety                  2                  0.086                  0.172
    loop_
      _array_structure_list.array_id
      _array_structure_list.axis_set_id
      _array_structure_list.dimension
      _array_structure_list.direction
      _array_structure_list.index
      _array_structure_list.precedence
         1          1          2463          increasing          1          1
         1          2          2527          increasing          2          2
    loop_
      _diffrn_detector.id
      _diffrn_detector.number_of_axes
         1                        2
    loop_
      _diffrn_detector_axis.axis_id
      _diffrn_detector_axis.detector_id
         detx                     1
         dety                     1

Correct sense of rotation:

Incorrect sense of rotation: