OK please ignore this error I accidently have changed my test case. Everything works as it should.
Bryn
On 24 January 2011 13:48, Robert Brynmor Fenwick <">> wrote:
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?
Bryn
On 24 January 2011 13:18, Robert Brynmor Fenwick <" target="_blank">> wrote:
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"> 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
-- R. Bryn Fenwick " target="_blank"> 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
-- 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