Content:


Current defaults

The current (final) limits are

Statistic Limit
I/sigI 2.0
Rpim 0.6
CC(1/2) 0.3

To handle situations where a much too optimistic amount of data is given to the scaling procedure, those final values are reached iteratively, starting from more loos criteria.


Set your own values

For that the following parameters (a space-separated list of value1:value2 pairs) need to be modified, either on the command-line or in a so-called macro file:

Parameter Default Example Remark
ScaleAnaISigmaCut_123 "0.1:0.1 0.5:0.5 0.5:1.0 1.0:2.0" "0.0:0.0 0.2:0.2 0.4:0.5 0.4:1.0" the final cut-off criteria is 1.0 (or 0.4 for each run if the final data is obtained by merging several sweeps)
ScaleAnaRpimallCut_123 "99.9999:99.9999 0.9:0.9 0.8:0.8 0.6:0.6" "99.9:99.9" ignore Rpim as cut-off criteria
ScaleAnaCChalfCut_123 "-1.0:-1.0 0.0:0.0 0.1:0.1 0.3:0.3" "-1.0:-1.0 0.0:0.0 0.1:0.1" use CC(1/2) of 0.1 as final criteria

So if one runs autoPROC or aP_scale with

% process \
  ScaleAnaISigmaCut_123="0.0:0.0" \
  ScaleAnaRpimallCut_123="99.9:99.9" \
  ScaleAnaCChalfCut_123="0.3:0.3" ...
% aP_scale \
  ScaleAnaISigmaCut_123="0.0:0.0" \
  ScaleAnaRpimallCut_123="99.9:99.9" \
  ScaleAnaCChalfCut_123="0.3:0.3" ...

the only two criteria active (right from the start) would be I/sigI (at least 0.0 in the highest resolution shell) and CC1/2 (at least 0.3). For the above reasons it might be better to sue

% process \
  ScaleAnaISigmaCut_123="0.0:0.0" \
  ScaleAnaRpimallCut_123="99.9:99.9" \
  ScaleAnaCChalfCut_123="0.1:0.1 0.2:0.2 0.3:0.3" ...
% aP_scale \
  ScaleAnaISigmaCut_123="0.0:0.0" \
  ScaleAnaRpimallCut_123="99.9:99.9" \
  ScaleAnaCChalfCut_123="0.1:0.1 0.2:0.2 0.3:0.3" ...