2,652
edits
Xdscc12: Difference between revisions
→Example output with explanation
| Line 42: | Line 42: | ||
To find out about the influence of the ''a'' and ''b'' parameters of the XDS/XSCALE-adjusted error model, you may try the <code>-w</code> option; this assigns the same sigma to all reflections. Likewise, the [https://en.wikipedia.org/wiki/Fisher_transformation Fisher transformation], which serves to make changes in CC<sub>1/2</sub> comparable across resolution ranges, may be switched off for testing purposes, with the -z option. | To find out about the influence of the ''a'' and ''b'' parameters of the XDS/XSCALE-adjusted error model, you may try the <code>-w</code> option; this assigns the same sigma to all reflections. Likewise, the [https://en.wikipedia.org/wiki/Fisher_transformation Fisher transformation], which serves to make changes in CC<sub>1/2</sub> comparable across resolution ranges, may be switched off for testing purposes, with the -z option. | ||
== Example output | == Example output == | ||
<pre> | |||
xdscc12 KD 2020-12-9. Academic use only; no redistribution. -h option shows options. | xdscc12 KD 2020-12-9. Academic use only; no redistribution. -h option shows options. | ||
Please cite Assmann, G., Brehm, W., Diederichs, K. (2016) J.Appl.Cryst. 49, 1021-1028 | Please cite Assmann, G., Brehm, W., Diederichs, K. (2016) J.Appl.Cryst. 49, 1021-1028 | ||
| Line 48: | Line 49: | ||
no option -w found, therefore statistics are weighted by sigma values | no option -w found, therefore statistics are weighted by sigma values | ||
no option -z found, therefore delta-CC1/2 values are Fisher-transformed | no option -z found, therefore delta-CC1/2 values are Fisher-transformed | ||
reflection file is temp.ahkl | reflection file is temp.ahkl | ||
!SPACE_GROUP_NUMBER= 19 | !SPACE_GROUP_NUMBER= 19 | ||
| Line 67: | Line 68: | ||
frequency, i.e. number of unique reflections in resolution shells: | frequency, i.e. number of unique reflections in resolution shells: | ||
493 887 1134 1345 1501 1649 1808 1921 2061 2187 | 493 887 1134 1345 1501 1649 1808 1921 2061 2187 | ||
headings for lines starting with a,b,c: | headings for lines starting with a,b,c: | ||
a: <CC1/2> of each dataset: | a: <CC1/2> of each dataset: | ||