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?


R. Bryn Fenwick
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