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Scaling with SCALA (or better: aimless): Difference between revisions
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Scaling with SCALA (or better: aimless) (view source)
Revision as of 10:39, 22 June 2011
, 22 June 2011→Using combat
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In this way one gets the well-known outputs of [http://www.ccp4.ac.uk/html/scala.html SCALA] and [http://www.ccp4.ac.uk/html/truncate.html TRUNCATE], and the MTZ file junk_truncated.mtz . | In this way one gets the well-known outputs of [http://www.ccp4.ac.uk/html/scala.html SCALA] and [http://www.ccp4.ac.uk/html/truncate.html TRUNCATE], and the MTZ file junk_truncated.mtz . | ||
If one really wants to completely switch scaling off in CORRECT, one can use | |||
MINIMUM_I/SIGMA=50 | |||
CORRECTIONS= | |||
in [[XDS.INP]]. MINIMUM_I/SIGMA=50 prevents the sigmas from being adjusted. This also prevents outlier rejection and geometry refinement. Since the latter may be desired it would be most appropriate to use MINIMUM_I/SIGMA=50 only after [[Optimization]] (re-cycling of GXPARM.XDS to XPARM.XDS). Prevention of outlier rejection would be also obtained by using (e.g.) WFAC1=2. | |||
A good option might be to make CORRECT only do MODULATION correction since this is not easily available in SCALA: | |||
CORRECTIONS= MODULATION | |||
== Using pointless == | == Using pointless == | ||