New (free) SAXS software

Small angle scattering software (except ATSAS)
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dpgoldenberg
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Posts: 8
Joined: 2009.05.26 00:45
Location: University of Utah

New (free) SAXS software

#1 Post by dpgoldenberg » 2012.05.01 02:09

Hi,
I apologize in advance if this post is not appropriate, but I thought that there might be interest here. I have been working for some time on a set of relatively simple software tools for processing and analyzing SAXS data. Although most of the programs were written for processing data from the Anton-Paar SAXSess instrument, some of the software is also be useful for data collected with other instruments. The documentation also provides background information on slit smearing and its correction and on the units and calibration of scattering intensities that should be useful to a variety of users.

I call the software collection the Utah SAXS Tools, and it can be downloaded from my lab web page:

http://biologylabs.utah.edu/goldenberg/

(follow the links to Local Software and Utah SAXS Tools)

There are two major components of the Utah SAXS Tools. The first is a set of macros (saxsImage) for the ImageJ program, a widely-used scientific image analysis program developed by Wayne Rasband at the U.S. National Institutes of Health. The saxsImage macros create new menu commands for imageJ that are specifically designed for integrating the two-dimensional image data from the SAXSess camera, as well as analyzing the beam profile. The data from saxsImage are saved in the PDH file format of Glatter et al, with special provisions for storing the beam-profile information.

The second component is a set of programs, written in the Python language, for processing, analyzing, plotting and fitting the scattering data. These programs are run using a command-line interface: A shell in Unix-like operating systems (including Mac OS X) or the DOS window in the Windows operating systems. While this approach is, in some respects, less user-friendly than a graphical interface with menus etc, with a bit of experience it can become a very efficient way of working. In particular, the user is freed from the repetitive use of dialog boxes for opening and saving files, as well as other operations. The programs can also be called from scripts that automate some of the data-processing steps.

I realize that the programs are much less ambitious than many of those available elsewhere and are in some respects less user friendly. They do have some virtues, however, including the fact that they can be used on almost any platform that supports Python (including the Macintosh with OS X), and they rely only on publicly available software.

I am hopeful that these programs may be useful to other scientists and would greatly appreciate any feedback, including bug reports.

Thanks,
David Goldenberg

kristalloflex
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Joined: 2012.09.05 10:29

Re: New (free) SAXS software

#2 Post by kristalloflex » 2012.09.05 10:37

Hi,
I tried your software on Windows - up to now it works well - however I'm using a 1D-Detector (MioSTAR).
Unfortunately there are some programms missing, which are described in the manual, e.g. saxsPlot.
Is there an update of the zip-File coming?

Best regards

dpgoldenberg
Member
Posts: 8
Joined: 2009.05.26 00:45
Location: University of Utah

Re: New (free) SAXS software

#3 Post by dpgoldenberg » 2012.09.07 00:11

Well, that's embarrassing!

But, thanks for trying the software and reporting the problem. The files that I found missing were saxsPlot and readPdh. Were there others you found?

I have just posted a new distribution. In addition to adding the missing files, there is a new version of saxsFit, with an option to fit linear combinations of two models. There are also a few tweaks and bug fixes.

Thanks,
David

bubulina
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Joined: 2013.01.25 11:20

Re: New (free) SAXS software

#4 Post by bubulina » 2013.01.25 11:33

Hi David,

I tried to access the lab web page, but this one can not be opened (the message is ”This webpage is not available”).
Is there another way to download the software tools for processing and analyzing SAXS data?

Many thanks in advance,
Maria

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