[ccp4bb]: REJECT in scalepack2mtz (summary)

[Peter.Burkhard@unibas.ch]

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Here a summary of usefule hints to the REJECT problem in scalepack2mtz.

1. This seems to be indeed a bug:
   Raj has fixed this in the source code and sent me an updated version
   of scalepack2mtz (raja@bnl.gov)

2. Kevin (and Eleanor) say that there is no other CCP4 program to exclude
   selected reflections after processing (for some good reasons).

3. Bart Hazes (and Arjan Snijder) suggest using sftools with the following
   input:
   SELECT index h = 1
   SELECT index k = 10
   SELECT index l = 10
   SELECT INVERT
   PURGE
   YES

   Using the following awk-script then gives the expected result which can
   easily be included into an input command file for sftools:

   awk '$7=="30.0000" {printf"SELECT index h = %3s\nSELECT index k =
%3s\nSELECT index l= %3s\nSELECT INVERT\nPURGE\nYES\n",$1,$2,$3}' fft.log

Many thanks for the help,

Pete
___________________________________________________________________________

Dr. Peter Burkhard
Abteilung Strukturbiologie
Klingelbergstr. 70
CH-4056 BASEL, Switzerland

Phone:	++41 61 267 20 91
Fax:	++41 61 267 21 09
E-mail:	Peter.Burkhard@unibas.ch