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Commit Date  
[r21796] by tlinnet

Added systemtest for reading spins from a sparky list.

Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins from SPARKY list.

2013-12-05 21:48:10 Tree
[r21795] by bugman

Added some more files for the Fyn SH3 R1rho test data.

This includes the cpmg_fit input and output files, R1 data files for relax as R1 cannot optimised
yet, and a relax script.

2013-12-05 16:31:49 Tree
[r21794] by tlinnet

System test for sequence read expanded to include assertions of correct data.

Work in progress for Support Request #3044, (https://gna.org/support/index.php?3044) - Load spins from SPARKY list.

2013-12-05 16:24:16 Tree
[r21793] by bugman

The relax_disp.plot_disp_curves user function can now support 3000 sets per Grace graph.

2013-12-05 16:21:37 Tree
[r21792] by bugman

The relax_disp.plot_disp_curves user function can now support 150 sets per Grace graph.

2013-12-05 16:15:55 Tree
[r21791] by bugman

Fix for the relax_disp.r2eff_read_spin user function.

The offsets are now converted to ppm prior to finding the R2eff/R1rho key.

2013-12-05 16:13:21 Tree
[r21790] by bugman

Large redesign of the R2eff/R1rho data structures.

The five indices {Ei, Si, Mi, Oi, Di} for the experiment type, the spins of the cluster, the
magnetic field strengths, the pulse offsets, and the dispersion points (nu_CPMG or nu1) respectively
are now much better defined. The Oi dimension is new and allows for support of R1rho-type data
whereby both different offsets and different spin-lock field strengths. Previously only one or the
other was supported, but not both together. The offset information is now included as part of the
spin R2eff/R1rho key, even if not set.

To support this, the specific_analyses.relax_disp.disp_data module now has the new functions
loop_exp_frq_offset(), loop_exp_frq_offset_point(), loop_exp_frq_offset_point_time(),
loop_frq_offset(), loop_frq_offset_point_key(), loop_offset(), and loop_offset_point(). All of the
{Ei, Si, Mi, Oi, Di} dispersion indices throughout the source tree have been changed to ei, si, mi,
oi, and di respectively. And the time index ti has also been introduced. These changes hugely
simplify the code.

2013-12-05 15:49:27 Tree
[r21789] by tlinnet

Implemented GUI test, which caches the bug.

Fix for bug #21076, (https://gna.org/bugs/?21076) - When loading a multi-spectra NMRPipe seriesTab file through the GUI, several Error messages occur.

2013-12-05 13:10:55 Tree
[r21788] by tlinnet

Fix for loading a seriesTab formatted intensity, and getting the ID for the following GUI elements.

Fix for bug #21076, (https://gna.org/bugs/?21076) - When loading a multi-spectra NMRPipe seriesTab file through the GUI, several Error messages occur.

2013-12-05 11:28:06 Tree
[r21787] by bugman

The relax_disp.r2eff_read_spin user function now can handle offset data in the file.

If the new offset_col argument is set and disp_point_col is not, then the file being read can
contain the spin-lock offset information rather than the spin-lock field strength values. This is
only for R1rho-type data.

2013-12-04 18:40:07 Tree
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