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About CONTIN
- Subject: About CONTIN
- From: "John D. Barnes" <john.barnes@nist.gov>
- Date: Thu, 3 Aug 2000 08:37:06 -0400
- cc: "Fred Mopsik" <frederick.mopsik@nist.gov>
Yesterday's posting to sa_scat from Bob Lagasse looking for a reference manual to a software package named CONTIN prompted me to power up trusty old Sherlock to go looking for information out on the WWW. I found a site with the URL http://www.provencher.de/contin.html Whose first few lines read as follows: CONTIN Applications: * Inversion of data represented by linear algebraic or integral equations, such as general analysis of multi-exponential decay (Laplace inversion) or estimating secondary structure from circular dichroism; * Most aspects of the problem can be easily modified in small user-oriented modules; too many applications to list here have been implemented by users; * Running in hundreds of laboratories with a wide variety of computers. ------------- While this site did not say anything specific about the manual that Bob was seeking, it does appear to be a contact that should help him. I also got some mail on this from other people. This is the disadvantage of having sa_scat as a moderated listserver: I get a certain amount of e-mail because people are not free to post directly to the list. Being (relatively) new to the SAS business, I was not aware of the CONTIN code until last evening. However, a quick perusal of its aplicability indicates to me that members of the SAS community may have much better choices. The varied works of Dmitri Svergun (see http://www.embl-hamburg.de/ExternalInfo/Research/Sax/), Otto Glatter's IFT and GIFT procedures (see http://physchem.kfunigraz.ac.at/sm/Personal/Otto/Otto.htm), and the review in the literature by Jan Skov Pedersen (Advances in Colloid and Interface Sciences, V70 (1997) pp 171-210) suggest that there are ways to analyze SAS data that may be much better suited to our needs. It seems to me that data inversion procedures should incorporate as much specific information as they can about the experiment. Both Dmitri and Otto gave very nice overviews of their work at last week's ACA Small-Angle SIG meeting. I hope that their work will soon receive wider recognition in the New World. I would like to encourage further discussion on this matter. The issue of efficient extraction of information from SAS data and assessing the precision of the resulting estimates is one that needs a lot more study. Please feel free to post comments to the listserver. Regards Dr. John D. Barnes email: john.barnes@nist.gov Natl Inst of Stds and Tech Voice: 301-975-6786 100 Bureau Drive, Stop 8544 FAX: 301-975-4977 Gaithersburg, MD 20899 URL: http://www.nist.gov/sas
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