Tutorial(First Steps): Difference between revisions
New page: = A beginner's walk-through to XDS = ''This page is under development. If you think it might be useful to you and worth completing faster, why not simply bother the author by sending him ... |
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This is it to start. type <pre>#> xds_par </pre> to run xds and wait until it's finished. | This is it to start. type <pre>#> xds_par </pre> to run xds and wait until it's finished. | ||
== Indexing Fails == | |||
If the detector origin is too far from the image centre, IDXREF is going to stop with the error message | |||
!!! ERROR !!! SOLUTION IS INACCURATE | |||
Do the following: | |||
<source lang=fortran> | |||
# In IDXREF.LP, find the table '''INDEXING OF OBSERVED SPOTS IN SPACE GROUP''' | |||
***** INDEXING OF OBSERVED SPOTS IN SPACE GROUP # 1 ***** | |||
16196 OUT OF 76452 SPOTS INDEXED. | |||
0 REJECTED REFLECTIONS (REASON: OVERLAP) | |||
60256 REJECTED REFLECTIONS (REASON: TOO FAR FROM IDEAL POSITION) | |||
EXPECTED ERROR IN SPINDLE POSITION 2.398 DEGREES | |||
EXPECTED ERROR IN DETECTOR POSITION 1.72 PIXELS | |||
</source> | |||
Unless really hardly any reflections could be indexed (second line in the table), scroll a few lines up and copy the refined values for the beam origin | |||
DETECTOR ORIGIN (PIXELS) AT 1514.16 1537.27 | |||
as improved ORGX and ORGY to [[XDS.INP]] and try indexing again. | |||
XDS is quite robust and in many cases this approach works | |||
# Check the refined detector distance | |||
DETECTOR ORIGIN (PIXELS) AT 1514.16 1537.27 | |||
CRYSTAL TO DETECTOR DISTANCE (mm) 422.92 | |||
If it deviates by more than 1-2mm from the input distance, check all you parameters again. Is the wavelength really correct, as well as the distance? If you are sure about them, try indexing with only a few images | |||
SPOT_RANGE = 1 20 | |||