Cheat sheet: Difference between revisions
mNo edit summary |
mNo edit summary |
||
| Line 51: | Line 51: | ||
|- | |- | ||
|10. Second and further runs of XDS typically refine the upper resolution limit and optimize the geometric parameters. It is useful to compare, after each modification, the resulting CORRECT.LP with the best one previously available. This is achieved by items in <code>tools / Saving and comparing good results</code> and <code>tools / Optimizing data quality</code> | |10. Second and further runs of XDS typically refine the upper resolution limit and optimize the geometric parameters. It is useful to compare, after each modification, the resulting CORRECT.LP with the best one previously available. This is achieved by items in <code>tools / Saving and comparing good results</code> and <code>tools / Optimizing data quality</code> | ||
|[[Optimisation]], [[XDSGUI#How to use XDSGUI]] | |Thus, re-run INTEGRATE CORRECT or just CORRECT as needed (step 6). See [[Optimisation]], [[XDSGUI#How to use XDSGUI]] | ||
|} | |} | ||
The XDSGUI paper (Brehm, Triviño, Krahn, Usón and Diederichs (2023) XDSGUI: a graphical user interface for XDS, SHELX and ARCIMBOLDO. J. Appl. Cryst. 56) is open access at <nowiki>https://doi.org/10.1107/S1600576723007057</nowiki> . | The XDSGUI paper (Brehm, Triviño, Krahn, Usón and Diederichs (2023) XDSGUI: a graphical user interface for XDS, SHELX and ARCIMBOLDO. J. Appl. Cryst. 56) is open access at <nowiki>https://doi.org/10.1107/S1600576723007057</nowiki> . | ||