[Instrument Layout]:

[kroon-lab]

Name of manufacturer

Bruker

Model

Kappa APEXII

Location

Utrecht University

Principal axis orientation

270

Goniometer axes

Phi, c, Kappa, c, Omega, c

Rotation axis name

Phi

kappa

Kappa 50

Image orientation

top left

Fast direction

horizontal

Pixel size

0.075

Two theta axis

clockwise

Other detector axes

No response

xds.inp

No response

Data DOI

doi.org/10.5281/zenodo.6365376

Comments

No response

[jamesrhester]

The auto-generated version is below:

_audit.block_id	Bruker_Kappa_APEXII
_diffrn_source.make	'Bruker-Kappa APEXII'
_diffrn_source.details	'Located at Utrecht University'
    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]
         Phi        rotation     goniometer  Kappa      1        0  0         0
         0                        0
         Kappa      rotation     goniometer  Omega      0.64279  0  -0.76604  0
         0                        0
         Omega      rotation     goniometer  .          1        0  0         0
         0                        0
         two_theta  rotation     detector    .          1        0  0         0
         0                        0
         trans      translation  detector    two_theta  0        0  -1        0
         0                        ?
         detx       translation  detector    trans      0        1  0         ?
         ?                        0
         dety       translation  detector    detx       1        0  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                  0.0375                  0.075
         dety                  2                  0.0375                  0.075
    loop_
      _array_structure_list.array_id
      _array_structure_list.axis_set_id
      _array_structure_list.direction
      _array_structure_list.index
      _array_structure_list.precedence
         1              1              increasing              1              1
         1              2              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

[jamesrhester]

The expanded version based on that generated by the Bruker conversion software and verified correct using peak position comparisons is below. Important points:

1. All axis orientations match the auto-generated ones
2. A number of detector positioning axes are unable to be captured by the tool at this time
3. Detector pixel sizes and dimensions are not included by the automatic tool

data_image

_diffrn.id BRUKER

loop_
_axis.id
_axis.depends_on
_axis.equipment
_axis.type
_axis.vector[1]
_axis.vector[2]
_axis.vector[3]
_axis.offset[1]
_axis.offset[2]
_axis.offset[3]
 gravity . gravity general 1 0 0 0 0 0
 OMEGA . goniometer rotation   1 0 0 0 0 0
 KAPPA OMEGA goniometer rotation  0.642788 0 -0.766044 0 0 0
 PHI KAPPA goniometer rotation  1 0 0 0 0 0
 TWOTHETA . detector rotation   1 0 0 0 0 0
 DX TWOTHETA detector translation 0 0 -1 0 0 0
 YAW DX detector rotation -1 0 0 0 0 0
 PITCH YAW detector rotation 0  1 0 0 0 0
 ROLL PITCH detector rotation 0 0 1 0 0 0
 H ROLL detector translation 0  1 0 0 0 0
 V H detector translation  1 0 0 0 0 0
 # original below
 # ELEMENT_X V detector translation 0 -1 0 -30.7201 -30.7201 0
 # fixed
ELEMENT_X V detector translation 0  1 0 -30.7201 -30.7201 0
ELEMENT_Y ELEMENT_X detector translation  1 0 0 0 0 0
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 0.0600002 0.12
 ELEMENT_Y ELEMENT_Y 0.0600002 0.12

_array_structure.id IMAGE
_array_structure.byte_order little_endian
_array_structure.encoding_type 'signed 32-bit integer'

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
 IMAGE 1 512 1 increasing ELEMENT_X
 IMAGE 2 512 2 increasing ELEMENT_Y

[jamesrhester]

I have created a pull request #17 to update our archive with this information. Please somebody press the big button to merge it.

[jamesrhester]

Completed.