Trusted, Bureaucrats
4,228
edits
Changes
Some more symbol formatting
* 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) 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 R2 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) 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.