2,651
edits
Problems: Difference between revisions
→IDXREF ends with message: as confirmed with WK
(→IDXREF ends with message: update for spgr 0) |
(→IDXREF ends with message: as confirmed with WK) |
||
| Line 47: | Line 47: | ||
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). | ||
In versions up to and including Dec 6, 2010, the error message often occurs if the spacegroup is given as "0". In that case the "STANDARD DEVIATION OF SPOT POSITION (PIXELS)" from the first indexing (using 3000 reflections) is used, and not the value resulting from refinement, which takes all reflections into account. This is | In versions up to and including Dec 6, 2010, the error message often occurs if the spacegroup is given as "0". In that case the "STANDARD DEVIATION OF SPOT POSITION (PIXELS)" from the first indexing (using 3000 reflections) is used, and not the value resulting from refinement, which takes all reflections into account. This is an over-pessimistic approach, and will change in the next version. | ||
=== IDXREF.LP does not show the expected lattice === | === IDXREF.LP does not show the expected lattice === | ||