2,652
edits
IDXREF: Difference between revisions
Jump to navigation
Jump to search
no edit summary
No edit summary |
No edit summary |
||
| (One intermediate revision by the same user not shown) | |||
| Line 1: | Line 1: | ||
The IDXREF step of [[XDS]] | The IDXREF step of [[XDS]] | ||
# reads a list of spot positions from SPOT.XDS and converts them to vectors in reciprocal space (which requires suitable values for ORGX, ORGY, DETECTOR_DISTANCE, OSCILLATION_RANGE, X-RAY_WAVELENGTH, QX, QY, DIRECTION_OF_DETECTOR_X-AXIS, DIRECTION_OF_DETECTOR_Y-AXIS, INCIDENT_BEAM_DIRECTION, ROTATION_AXIS) | # reads a list of spot positions from SPOT.XDS and converts them to vectors in reciprocal space (which requires suitable values for ORGX, ORGY, DETECTOR_DISTANCE, OSCILLATION_RANGE, X-RAY_WAVELENGTH, QX, QY, DIRECTION_OF_DETECTOR_X-AXIS, DIRECTION_OF_DETECTOR_Y-AXIS, INCIDENT_BEAM_DIRECTION, ROTATION_AXIS, SEPMIN; CLUSTER_RADIUS) - see also [[XDS.INP#Keywords_which_affect_whether_indexing_will_succeed]] | ||
# calculates primitive unit cell parameters from the (clustered) difference vectors | # calculates primitive unit cell parameters from the (clustered) difference vectors | ||
# as a control, prints out indices (which should be close to integer numbers) corresponding to difference vectors | # as a control, prints out indices (which should be close to integer numbers) corresponding to difference vectors | ||
| Line 16: | Line 16: | ||
[[Indexing]] | [[Indexing]] | ||
[[Problems]] | |||