Crysol atsas 2.6

Calculation of SAXS and SANS profiles (CRYSOL, CRYSON), superposition of models (SUPCOMB, DAMAVER, DAMCLUST), database DARA
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Pernille
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Joined: 2013.09.24 14:57

Crysol atsas 2.6

#1 Post by Pernille » 2015.07.01 13:33

Hi Saxier
A small question regarding the chi reported from Crysol, Atsas version 2.6
According to an earlier thread on this forum, the chi value from Crysol is the square root of Chi2 (squared :) ).

When reading the changes implemented in Atsas 2.6 it is said that all prgrams now report chi2.

When reading my .fit file from Crysol it is called chi.

Sorry for my confusion but is it chi or chi2 :? ?

Best regards

Pernille

SaxsMax
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Re: Crysol atsas 2.6

#2 Post by SaxsMax » 2015.07.01 20:22

This is strange.
The first line of the fit file generated by crysol from atsas2.6.0 should have
Chi^2: <value>

Could you please double check that you run the crysol from 2.6.0 and not an older instance?

Pernille
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Posts: 12
Joined: 2013.09.24 14:57

Re: Crysol atsas 2.6

#3 Post by Pernille » 2015.07.03 13:22

So here is the weird thing.
On my colloeagues computer who has this odd chi issue, writing crysol --version, gives:
crysol v2.8.3 <r4556>
Copyright <c> ATSAS Team, EMBL, Hamburg Outstation, 1995-2013

She has Atsas 2.6 installed since february this year.

I only recently updated Atsas to 2.6 on my computer but get the exact same:
crysol v2.8.3 (r4556)
Copyright (c) ATSAS Team, EMBL, Hamburg Outstation, 1995-2013

I her fit-file when opening in notepad it says chi, while in my version it says chi<2>.

Atsas has not been installed on her computer before so earlier versions cannot be an issue.

I guess I will get her to uninstall and reinstall. But very odd!

SaxsMax
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Re: Crysol atsas 2.6

#4 Post by SaxsMax » 2015.07.03 13:42

OK, I might have got the idea whats going on.
You colleague might have computed the fit using the graphical (qw) version of Crysol
which was updated later than the 2.6 release was made.
This issue in qw should be fixed in the 2.6.1 which should be out soon

Pernille
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Posts: 12
Joined: 2013.09.24 14:57

Re: Crysol atsas 2.6

#5 Post by Pernille » 2015.07.03 15:25

Ok that's it then.
She uses the graphical version while I work in command prompt.
Thank you very much :)

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