Problems: Difference between revisions

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494 bytes added ,  19 September 2013
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  JOB= DEFPIX INTEGRATE CORRECT
  JOB= DEFPIX INTEGRATE CORRECT
and then continue to run XDS. In other cases you may want to change SPOT.XDS, or other keywords in [[XDS.INP]] (see also below). But in any case this is an important alert that should make you check the correctness of the parameters that describe the data collection (X-RAY_WAVELENGTH, DETECTOR_DISTANCE, ORGX, ORGY, OSCILLATION_RANGE, NAME_TEMPLATE_OF_DATA_FRAMES).
and then continue to run XDS. In other cases you may want to change SPOT.XDS, or other keywords in [[XDS.INP]] (see also below). But in any case this is an important alert that should make you check the correctness of the parameters that describe the data collection (X-RAY_WAVELENGTH, DETECTOR_DISTANCE, ORGX, ORGY, OSCILLATION_RANGE, NAME_TEMPLATE_OF_DATA_FRAMES).
=== IDXREF print !!! WARNING !!! message ===
If you see
!!! WARNING !!! REFINEMENT DID NOT CONVERGE
                LAST CORRECTION SHIFT WAS  6.1E-02 (should be <  1.0E-03)
then try the following: find the line
REFINE(IDXREF)= ...
in XDS.INP. If it is commented out with a !, remove the !. Then, change it to have
REFINE(IDXREF)=CELL BEAM ORIENTATION AXIS ! DISTANCE
i.e. remove DISTANCE from the list of refinable parameters. Once that is done, save XDS.INP and re-run the IDXREF step.


=== IDXREF.LP does not show the expected lattice ===
=== IDXREF.LP does not show the expected lattice ===
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