OK the calculation of the chi square from the data in the output files is correct. The only difference appears to be the fitting... has the fitting changed?
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 " target="_blank">robert.fenwick@irbbarcelona.org Post-doctoral fellow Chemistry and Molecular Pharmacology Programme Institute for Research in Biomedicine (IRB Barcelona)
Parc CientÃfic de Barcelona Baldiri Reixac 10, 08028 Barcelona, SPAIN Tel. (+34) 9340 20460
-- R. Bryn Fenwick ">robert.fenwick@irbbarcelona.org Post-doctoral fellow Chemistry and Molecular Pharmacology Programme
Institute for Research in Biomedicine (IRB Barcelona) Parc CientÃfic de Barcelona Baldiri Reixac 10, 08028 Barcelona, SPAIN Tel. (+34) 9340 20460