SAXS

Small Angle X-ray Scattering Initiative for Europe :: Forum
It is currently 2017.10.23 13:37

All times are UTC + 2 hours




Post new topic Reply to topic  [ 3 posts ] 
Author Message
PostPosted: 2014.09.02 17:32 
Offline
Active member

Joined: 2007.08.09 21:10
Posts: 692
Location: Planet Earth
Hi All

Perhaps someone will find useful the program (DATASW) I wrote to analyze subtracted data from
inline HPLC-SAXS measurement. The subtracted data files have to have a common ID
and consequent NUMBER, e.g. ID_sometext_NUMBER.dat

Consequent files (according to NUMBER) are averaged using user-specified size of a sliding window (default is 1 -
files are renamed). The averaging can be useful if the sample concentration was low.

Optionally, DATASW can calculate Rg and I0 using AUTORG, whereas Dmax and MW - by AUTOPOROD.
If AUTORG and AUTOPOROD options are enabled, Porod volume will be calculated for the files
with Rg estimation quality more than 10%. Note, that if you have many negative values for
intensity in the datafile (typical for buffer mismatch), the Rg will not be calculated.

DATASW can detect a single peak and average datasets in it, creating
two files - average over all curves in the peak and average over curves proximal
to the peak maximum. For multiple peaks averaging has to be performed manually using
the program 'dataver' from ATSAS package and files in the Peak_*/ directory.

Please contact me should the file naming be different from the one mentioned above.

Feedback is very welcome!
Alex

Download link (archive with binaries for major platforms and README file):
https://goo.gl/vEJWS9


Top
 Profile  
 
PostPosted: 2016.04.15 10:18 
Offline
Active member

Joined: 2007.08.09 21:10
Posts: 692
Location: Planet Earth
Hi All!

Following feedback from DATASW users, I am happy to present a new
version (1.1) of DATASW, which includes following new features:

* possibility to subtract buffer
* possibility to define first/last frame for processing
* estimation of rg/i0 using autognom (should provide more accurate
invariants estimates for flexible proteins)
* third way of MW estimation using SAXS MoW (ATSAS version 2.7.X has to
installed, where X is 0 or 1)
* generation of dimensionless Kratky plot for the sample along with two
reference (BSA and natively unfolded Tau) proteins.
* interactive normalization of Kratky plot with user-specified I0/Rg values
* interactive plotting with new frame, I0 and MW axis limits
* generation of new data frames average when new frames limits are specified
and dKratky plot is visualized

Last, but not least, there is now a PDF document with a manual on how to use
DATASW with detailed explanations, tips and caveats.

Binaries for major platforms as well as the manual itself can be found at:
https://sourceforge.net/projects/datasw ... tasw-v1.1/

Feedback is very welcome!

Thank you for using DATASW!
Alex


Top
 Profile  
 
PostPosted: 2017.03.26 17:50 
Offline
Active member

Joined: 2007.08.09 21:10
Posts: 692
Location: Planet Earth
Dear All,

Update of DATASW is now available:
https://sourceforge.net/projects/datasw ... tasw-v1.2/

Changes since DATASW v1.1 include following:
* compatible with latest ATSAS 2.8.0
* a number of fixes and improvements
* DATASW now depends on GNUPLOT/QT

Thank you for using DATASW!
Alex


Top
 Profile  
 
Display posts from previous:  Sort by  
Post new topic Reply to topic  [ 3 posts ] 

All times are UTC + 2 hours


Who is online

Users browsing this forum: No registered users and 1 guest


You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum
You cannot post attachments in this forum

Search for:
Jump to:  
cron
Powered by phpBB® Forum Software © phpBB Group