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{{infobox relax release| version = 2.2.5| prev = 2.2.4| next = 3.0.0| keywords = Model-free analysis, structure| type = Minor feature| date = 24 March 2013| manual = yes}} == Description ==
<section begin=description/>
This is a minor feature release. Improvements include the creation of R<sub>ex</sub> value files scaled to all spectrometer frequencies for the model-free auto-analysis [d'Auvergne and Gooley, 2007][d'Auvergne and Gooley, 20082008b] and some new capabilities in the structural API. Feel free to upgrade if you wish to use these new features.
<section end=description/>
== Download ==
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== CHANGES file ==
<section begin=metadata/>
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=== Features ===
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=== Changes ===
<section begin=changes/>
* The helix and sheet metadata is now stored in and read from relax XML state files.
* Added the scaling argument to the [http://www.nmr-relax.com/manual/value_display.html value.display] and [http://www.nmr-relax.com/manual/value_write.html value.write] user functions. The idea comes from a suggestion by Angelo Figueiredo <am dott figueiredo att fct dott unl dott pt> and was discussed at http://thread.gmane.org/gmane.science.nmr.relax.user/1428/focus=1430. This allows the user to scale parameters to any value, for example scaling the R<sub>ex</sub> value to the field strength dependent value.
* The model-free auto-analysis (the dauvergne_protocol[d'Auvergne and Gooley, 2007][d'Auvergne and Gooley, 2008b]) now generates field strength dependent R<sub>ex</sub> files. The idea comes from a suggestion by Angelo Figueiredo <am dott figueiredo att fct dott unl dott pt> and was discussed at http://thread.gmane.org/gmane.science.nmr.relax.user/1428/focus=1430. One file per field strength is generated and named 'rex_600' for 600 MHz, for example. The new scaling argument of the [http://www.nmr-relax.com/manual/value_write.html value.write user function] is being used to scale the tiny field strength independent value used internally in relax to the R<sub>ex</sub> value in rad.s<sup>-1</sup> that you would see in an R<sub>2</sub> data set.
* Added the new 'comment' argument to the [http://www.nmr-relax.com/manual/value_write.html value.write user function]. This is used to add user comments to the top of the file.
* The model-free auto-analysis (the dauvergne_protocol module[d'Auvergne and Gooley, 2007][d'Auvergne and Gooley, 2008b]) now adds comments to the R<sub>ex</sub> files. This is through the new comment argument of the [http://www.nmr-relax.com/manual/value_write.html value.write user function]. These comments explain that the R<sub>ex</sub> values are scaled to the stated field strength.
* Modified the Mf.test_dauvergne_protocol system test to check for all the files and directories created.
* Created the new lib.text.sectioning module for formatting titles, subtitles and other sectioning text. The two functions title() and subtitle() have been implemented.
<section end=changes/>
=== Bugfixes ===
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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_2.2.5 Official release notes]
* [https://{{gna link|url=gna.org/forum/forum.php?forum_id=2388 |text=Gna! news item]}}
* [http://article.gmane.org/gmane.science.nmr.relax.announce/42 Gmane]
* [http://www.mail-archive.com/relax-announce%40gna.org/msg00038.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{{#lst: [http://dx.doi.org/10.1039/b702202f 10.1039/b702202f).Citations|dAuvergneGooley07}}* [*d'Auvergne and Gooley, 20082008b] 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{{#lst: [http://dx.doi.org/10.1007/s10858-007-9213-3 10.1007/s10858-007-9213-3]).Citations|dAuvergneGooley08b}}
<section end=references/>
<HarvardReferences />
== See also ==
* [http://www.nmr-relax.com/api/2.2/ The relax 2.2 API documentation]
{{:relax release see also}}
[[Category:Model-free analysis]]