[phenixbb] no merge original index

Schubert, Carsten [JRDUS] CSCHUBER at its.jnj.com
Sun Jun 7 15:26:35 PDT 2015


HKL2000 or scalepack for that matter is as far as I know (caveat emptor) not able to read in the output format created by the option ‘no merge original index’. The error you see is associated with HKL2000 trying to reread the produced .sca file and extract the header with the cell information which is then being written out into further meta data in that directory.
If you put the no merge option into the gui the program should write the unmerged data into whatever you specified as output name (scalepack.sca?). You can easily check this by comparing the output files with and w/o the no merge option enabled.

In order to avoid this confusion I would actually bypass the gui:

1.       scale your data normally until you are happy with the error model

2.       switch to the command line in whatever directory you are scaling

3.       edit the scl.in file, insert ‘no merge original index’, edit the output filename to something meaningful, i.e. ‘scalepack_orind.sca’

4.       run the scaling again: scalepack < scl.in | tee scale_nomerge.log

5.       Also RT(F)M is always helpful in these situations, as this procedure assumes a certain familiarity with the inner workings of the HKL suite…



From: phenixbb-bounces at phenix-online.org [mailto:phenixbb-bounces at phenix-online.org] On Behalf Of Tarek DawoD
Sent: Thursday, June 04, 2015 9:12 PM
To: PHENIX User Mailing List
Subject: [phenixbb] no merge original index

obtaining unmerged data from HKL2000

when i use "no merge original index" it either does nothing or gives this error ((could not read file /,,,/,,,,//,,///,,,,/.sca header: format is not supported by HKL-2000, File could be corrupted or it may be a result of a "no merge" command))

How could this be fixed?? did somebody else managed to get the unmerged data from HKL2000 or it is problematic?

Thank you for your explanation and providing solution

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