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Relax 2.1.1

46 bytes removed, 09:13, 16 October 2020
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{{infobox relax release| version = 2.1.1| prev = 2.1.0| next = 2.1.2| keywords = Manual, relaxation data| type = Major feature and bugfix| date = 21 September 2012| manual = yes}} == Description ==
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== Download ==
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== CHANGES file ==
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=== Features ===
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=== Changes ===
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* Re-added Dominique Marion's solvent suppression to the NMRPipe script in the curve-fitting chapter.
* A few small edits of the relaxation curve-fitting chapter. This is to reinforce the exact time of the relaxation time period.
* Added some text to explain why test only J(0) is discussed whereas the script also calculated F<sub>R<sub>2</sub></sub> and F<sub>&eta;</sub>. This was suggested by [https://gna.org/users/{{relax developer link|username=bugman |text=Edward d'Auvergne] }} in a post at:https://mail.gna.org/public/relax-devel/2012-09/msg00044.html.
* Big clean up of the Bibtex bibliography file for the relax user manual.
* Small edits of the consistency testing figure caption in the relax user manual.
* Editing of the "Values, gradients, and Hessians" chapter of the user manual to make it fit better. The context of this chapter has been specified by changing the title to "Optimisation of relaxation data -- values, gradients, and Hessians" and the intro text has been updated. As this chapter is no longer straight after the model-free chapter, this is needed.
* Made a small correction to a reference such that a superscript is correctly displayed.
* Added the bounding box and a centerline command to the code for the figure for consistency testing. This follows two remarks by [https://gna.org/users/{{relax developer link|username=bugman |text=Edward d'Auvergne] }} at https://mail.gna.org/public/relax-devel/2012-09/msg00030.html and https://mail.gna.org/public/relax-devel/2012-09/msg00032.html.* Added more text to describe the consistency testing approach. Also includes a very basic point by point protocol for consistency testing. This was proposed by [https://gna.org/users/{{relax developer link|username=bugman |text=Edward d'Auvergne] }} at https://mail.gna.org/public/relax-devel/2012-09/msg00028.html. This also follows a discussion started by [https://gna.org/users/{{relax developer link|username=bugman |text=Edward d'Auvergne] }} at https://mail.gna.org/public/relax-devel/2012-09/msg00019.html.* Added some text to describe the consistency testing example figure. This follows a discussion started by [https://gna.org/users/{{relax developer link|username=bugman |text=Edward d'Auvergne] }} at https://mail.gna.org/public/relax-devel/2012-09/msg00019.html.* Added a modified version of Figure 1 from Morin and Gagne (JBNMR, 2009 (http://dx.doi.org/10.1007/s10858-009-9381-4)). File formats are .agr (xmgrace), eps (gzipped), and png. This follows a discussion started by [https://gna.org/users/{{relax developer link|username=bugman |text=Edward d'Auvergne] }} at https://mail.gna.org/public/relax-devel/2012-09/msg00019.html.* Added a directory for placing consistency testing graphics. This follows a discussion started by [https://gna.org/users/{{relax developer link|username=bugman |text=Edward d'Auvergne] }} at https://mail.gna.org/public/relax-devel/2012-09/msg00019.html.* Corrected the bibliography entries whih were still in plain text and not as a Latex \cite call. Also renamed the MorinGagne09 entry to MorinGagne09a as there is now also MorinGagne09b. This was proposed by [https://gna.org/users/{{relax developer link|username=bugman |text=Edward d'Auvergne] }} in a post at https://mail.gna.org/public/relax-devel/2012-09/msg00025.html.* Added the DOI to reference Morin11 and fixed indentation (10.1016/j.pnmrs.2010.12.003). This follows a comment by [https://gna.org/users/{{relax developer link|username=bugman |text=Edward d'Auvergne] }} at https://mail.gna.org/public/relax-devel/2012-09/msg00022.html.
* Deletion of the relax version LaTeX file - this is automatically created anyway.
* Added text to detail the usage of the consistency testing script. This text was modified from the corresponding text for jw_mapping. This follows a discussion started by [https://gna.org/users/{{relax developer link|username=bugman |text=Edward d'Auvergne] }} at https://mail.gna.org/public/relax-devel/2012-09/msg00019.html.* Added some text and a reference to the consistency testing chapter. This follows a discussion started by [https://gna.org/users/{{relax developer link|username=bugman |text=Edward d'Auvergne] }} at https://mail.gna.org/public/relax-devel/2012-09/msg00019.html.
* Editing of the nmrPipe script in the R<sub>x</sub> curve-fitting chapter of the manual.
* Some editing of the NOE chapter of the relax user manual.
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=== Bugfixes ===
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* The [http://www.nmr-relax.com/manual/bruker_read.html bruker.read user function] now throws a RelaxError when old PDC files are detected. This is a partial fix for [https://gna.org/bugs/?20152 bug #20152].
* Fixed the newlines in the sample script in the consistency testing chapter.
* Fixed the bounding box for the consistency testing figure and also fixed some Latex unfriendly code. Problems were spotted by [https://gna.org/users/{{relax developer link|username=bugman |text=Edward d'Auvergne] }} in a post at https://mail.gna.org/public/relax-devel/2012-09/msg00039.html.* Fixed a bibliography entry label problem. This was spotted by [https://gna.org/users/{{relax developer link|username=bugman |text=Edward d'Auvergne] }} in a post at:https://mail.gna.org/public/relax-devel/2012-09/msg00040.html.
* Bug fix for the creation of 2D graphs via grace.write for when many data sets exist. The algorithm for setting the Grace symbol number to be between 1 and 10 was broken!
* Fix for [https://gna.org/bugs/?20133 bug #20133] - this was simply a missing import.
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== Links ==
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For reference, the following links are also part of the announcement for this release:
* [http://wiki.nmr-relax.com/Relax_2.1.1 Official release notes]
* [https://{{gna link|url=gna.org/forum/forum.php?forum_id=2362 |text=Gna! news item]}}
* [http://article.gmane.org/gmane.science.nmr.relax.announce/34 Gmane]
* [http://www.mail-archive.com/relax-announce%40gna.org/msg00030.html Mail Archive]
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== Announcements ==
{{:relax release announcements}}
== References ==
<section start=references/>* [*d'Auvergne and Gooley, 2007] d'Auvergne, E. J. and Gooley, P. R. (2007). Set theory formulation of the model-free problem and the diffusion seeded model-free paradigm. ''Mol. BioSyst.'', '''3'''(7), 483–494. (DOI: [http{{#lst://dx.doi.org/10.1039/b702202f 10.1039/b702202f]).Citations|dAuvergneGooley07}}* [*d'Auvergne and Gooley, 2008b] d'Auvergne, E. J. and Gooley, P. R. (2008). Optimisation of NMR dynamic models II. A new methodology for the dual optimisation of the model-free parameters and the Brownian rotational diffusion tensor. ''J. Biomol. NMR'', '''40'''(2), 121-133. (DOI: [http{{#lst://dx.doi.org/10.1007/s10858-007-9213-3 10.1007/s10858-007-9213-3]).<section end=references/>Citations|dAuvergneGooley08b}}
<HarvardReferences />
== See also ==
* [http://www.nmr-relax.com/api/2.1/ The relax 2.1 API documentation]
{{:relax release see also}}
[[Category:Documentation]]
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