Cheat sheet: Difference between revisions

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|Look out for radiation damage. Bad frames have negative delta-CC1/2.

|-

|12. '''Creating MTZ file.''' Use the XDSCONV tab. Un-comment GENERATE_FRACTION_OF_TEST_REFLECTIONS=0.05 if you intend to use the MTZ file for refinement. To obtain a MTZ file from StarAniso, use (in Tools/Further analyses/last line) the command "mkdir staraniso; cd staraniso; aP_scale -hkl ../XDS_ASCII.HKL; echo StarAniso is ready". Of course this requires that autoPROC is installed.

|12. '''Creating MTZ file.''' Use the XDSCONV tab. Un-comment GENERATE_FRACTION_OF_TEST_REFLECTIONS=0.05 if you intend to use the MTZ file for refinement. '''To obtain a MTZ file from StarAniso''', use (in Tools/Further analyses/last line) the command "mkdir staraniso; cd staraniso; aP_scale -hkl ../XDS_ASCII.HKL; echo StarAniso is ready". Of course this requires that autoPROC is installed.

|FRIEDEL'S_LAW=FALSE is good even if little anomalous signal (FRIEDEL'S_LAW= TRUE in <code>XDS.INP</code>) since you may see metals or sulphur atoms in anomalous map.

|FRIEDEL'S_LAW=FALSE is good even if little anomalous signal (FRIEDEL'S_LAW= TRUE in <code>XDS.INP</code>) since you may see metals or sulphur atoms in an anomalous map.

|}

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> .

@@ Line 48: / Line 48: @@
 |<small>Look out for radiation damage. Bad frames have negative delta-CC<sub>1/2</sub>.</small>
 |-
-|<small>12. '''Creating MTZ file.''' Use the XDSCONV tab. Un-comment GENERATE_FRACTION_OF_TEST_REFLECTIONS=0.05 if you intend to use the MTZ file for refinement. To obtain a MTZ file from StarAniso, use (in Tools/Further analyses/last line) the command "mkdir staraniso; cd staraniso; aP_scale -hkl ../XDS_ASCII.HKL; echo StarAniso is ready". Of course this requires that autoPROC is installed.</small>
+|<small>12. '''Creating MTZ file.''' Use the XDSCONV tab. Un-comment GENERATE_FRACTION_OF_TEST_REFLECTIONS=0.05 if you intend to use the MTZ file for refinement. '''To obtain a MTZ file from StarAniso''', use (in Tools/Further analyses/last line) the command "mkdir staraniso; cd staraniso; aP_scale -hkl ../XDS_ASCII.HKL; echo StarAniso is ready". Of course this requires that autoPROC is installed.</small>
-|<small>FRIEDEL'S_LAW=FALSE is good even if little anomalous signal (FRIEDEL'S_LAW= TRUE in <code>XDS.INP</code>) since you may see metals or sulphur atoms in anomalous map.</small>
+|<small>FRIEDEL'S_LAW=FALSE is good even if little anomalous signal (FRIEDEL'S_LAW= TRUE in <code>XDS.INP</code>) since you may see metals or sulphur atoms in an anomalous map.</small>
 |}
 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> .