Ice rings: Difference between revisions
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(New page: Please see Wishlist#Would be nice to have; there's * a discussion about how to avoid ice rings from spoiling IDXREF step * which resolution ranges one might want to exclude (in [[...) |
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Please see [[ | * Since XDS version March 30,2013, one can use INCLUDE_RESOLUTION_RANGE and EXCLUDE_RESOLUTION_RANGE already in the IDXREF step. For the latter to be effective, the geometry should of course be rather accurate. The former may be used with an upper value of 4 for the IDXREF step to obtain indexing without ice rings. To process higher resolution data, the upper value then has to be modified for the DEFPIX INTEGRATE CORRECT step. | ||
* Please see [[Optimization]] for how to treat remaining ice reflections showing up as "aliens" in [[CORRECT.LP]]. | |||
* which | * additional ice rings (beyond those in the detector templates) are at | ||
1.524 - 1.519 | |||
1.473 - 1.470 | |||
1.444 - 1.440 | |||
1.372 - 1.368 | |||
1.367 - 1.363 | |||
1.299 - 1.296 | |||
1.275 - 1.274 | |||
1.261 - 1.259 | |||
1.224 - 1.222 | |||
1.171 - 1.168 | |||
1.124 - 1.122 | |||
according to https://www.globalphasing.com/autoproc/ReleaseNotes/ReleaseNotes-autoPROC_snapshot_20170623.txt which cites Kumai, M. (1967). A study of hexagonal and cubic ice at low temperatures. Research Report 231, U.S. Army Materiel Command, Cold Regions Research & Engineering Laboratory, Hanover, NH. | |||
Latest revision as of 14:43, 4 July 2017
- Since XDS version March 30,2013, one can use INCLUDE_RESOLUTION_RANGE and EXCLUDE_RESOLUTION_RANGE already in the IDXREF step. For the latter to be effective, the geometry should of course be rather accurate. The former may be used with an upper value of 4 for the IDXREF step to obtain indexing without ice rings. To process higher resolution data, the upper value then has to be modified for the DEFPIX INTEGRATE CORRECT step.
- Please see Optimization for how to treat remaining ice reflections showing up as "aliens" in CORRECT.LP.
- additional ice rings (beyond those in the detector templates) are at
1.524 - 1.519
1.473 - 1.470
1.444 - 1.440
1.372 - 1.368
1.367 - 1.363
1.299 - 1.296
1.275 - 1.274
1.261 - 1.259
1.224 - 1.222
1.171 - 1.168
1.124 - 1.122
according to https://www.globalphasing.com/autoproc/ReleaseNotes/ReleaseNotes-autoPROC_snapshot_20170623.txt which cites Kumai, M. (1967). A study of hexagonal and cubic ice at low temperatures. Research Report 231, U.S. Army Materiel Command, Cold Regions Research & Engineering Laboratory, Hanover, NH.