Wishlist: Difference between revisions

Jump to navigation Jump to search
184 bytes added ,  20 November 2007
m
Line 13: Line 13:
== Would be nice to have ==
== Would be nice to have ==


* A breakdown of R<sub>meas</sub> by frame number, as currently only available from [[XDSSTAT]]. --[[User:Kay|Kay]] 14:00, 12 November 2007 (CET)
* A breakdown of R<sub>meas</sub> by frame number, as currently only available from [[XDSSTAT]]. This would be useful in order to identify bad frames. --[[User:Kay|Kay]] 14:00, 12 November 2007 (CET)


* Templates of XDS.INP currently have  
* Templates of XDS.INP currently have  
Line 33: Line 33:
--[[User:Kay|Kay]] 14:30, 12 November 2007 (CET)
--[[User:Kay|Kay]] 14:30, 12 November 2007 (CET)


* IDXREF should respect INCLUDE_RESOLUTION_RANGE= because this could be used to prevent ice rings from disturbing the indexing. Likewise, EXCLUDE_RESOLUTION_RANGE= should be respected although this appears a bit less useful, because geometrical parameters are unrefined when resolution is calculated in IDXREF.<br /> An ugly workaround currently is to set TRUSTED_REGION=0 <some small value> for INIT where <some small value> is calculated such that ice rings are excluded - but that means that after successful indexing, INIT needs to be re-run.<br />  Suggested by Clemens Vonrhein --[[User:Kay|Kay]] 12:16, 16 November 2007 (CET)
* IDXREF should respect INCLUDE_RESOLUTION_RANGE= because this could be used to prevent ice rings from disturbing the indexing. Drawback: one would have to change INCLUDE_RESOLUTION_RANGE= after running IDXREF.<br />Likewise, EXCLUDE_RESOLUTION_RANGE= should be respected. Drawback: geometrical parameters are unrefined when resolution is calculated in IDXREF.<br /> A currently possible, but ugly, workaround is to set TRUSTED_REGION=0 <some small value> for INIT where <some small value> is calculated such that ice rings are excluded. Drawbacks: a) <some small value> needs to be calculated by Bragg's law. b) after successful indexing, INIT needs to be re-run.<br />  Based on discussion with Clemens Vonrhein --[[User:Kay|Kay]] 12:16, 16 November 2007 (CET)


== Cosmetical ==
== Cosmetical ==
2,652

edits

Cookies help us deliver our services. By using our services, you agree to our use of cookies.

Navigation menu