Scaling with SCALA (or better: aimless): Difference between revisions

Scaling with SCALA (or better: aimless) (view source)

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 == Using pointless ==
-A better way of going from a XDS formatted reflection file to a multi-record MTZ file (suitable for SCALA and TRUNCATE, but not directly for structure solution which requires single-record MTZ files) is via the [[pointless]] program
+An alternative way of going from a XDS formatted reflection file to a multi-record MTZ file (suitable for SCALA and TRUNCATE, but not directly for structure solution which requires single-record MTZ files) is via the [[pointless]] program
-(see also "[ftp://ftp.ccp4.ac.uk/ccp4/6.0.2/prerelease/runningpointlessandscala.pdf Running Pointless and Scala]"). This way is better (according to PRE), but pointless has only been made available recently (and one needs the latest version of the program). It's very easy to do:
+(see also "[ftp://ftp.ccp4.ac.uk/ccp4/6.0.2/prerelease/runningpointlessandscala.pdf Running Pointless and Scala]"). Note that this way also means that [[XDS]] is used to do most of the scaling (because XDS_ASCII.HKL is written by [[CORRECT]]) but this could be switched off in [[XDS.INP]] (partly or fully).
+It's very easy to do:
   pointless -copy xdsin XDS_ASCII.HKL hklout XDS_ASCII.mtz
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 Note: another program to work with those multi-record MTZ files is [http://www.ccp4.ac.uk/dist/html/reindex.html REINDEX].
 == See also ==
 [[XDSCONV]] to get the MTZ file directly (i.e. circumventing SCALA)