[Instrument Layout]: about instrument-geometry-info

[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.