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[IMP-users] calculating chi squared




Hi I have a script that calculates and fits saxs profiles and have observed that the fits are worse than previously calculated. I have a test case that now fits much worse than before. I guess that there is something wrong. Any help would be appreciated. I have attached the two output files and the saxs input files. If you look at the two output files to see that they give slightly different results. 

Another problem that I have is that I can not calculate the chi square value that is in the output file from the data. Is this the expected behavior?

Bryn



--
R. Bryn Fenwick
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Post-doctoral fellow
Chemistry and Molecular Pharmacology Programme
Institute for Research in Biomedicine (IRB Barcelona)
Parc Científic de Barcelona
Baldiri Reixac 10, 08028 Barcelona, SPAIN
Tel. (+34) 9340 20460

Attachment: fitting_offset.dat
Description: Binary data

Attachment: saxs.dat
Description: Binary data

Attachment: fitting_offset.dat
Description: Binary data