Re: Addition of Data-set for R1rho analysis -- October 21, 2013 - 14:28

Hi,

You should directly add these to the repository yourself.  There's no
need to wait for me anymore ;)  Well, except for when development
discussions are needed.

Regards,

Edward



On 21 October 2013 14:19, Troels Emtekær Linnet <tlinnet@xxxxxxxxxxxxx> wrote:
> Hi Edward.
>
> The file size went down to 0.5 MB, after deleting the grace directories.
>
> Should I write to svn or add as patch files?
>
> Best
>
>
> 2013/10/21 Edward d'Auvergne <edward@xxxxxxxxxxxxx>
> > Hi,
> >
> > I would recommend just adding the peak lists for the R1rho dispersion
> > data to start with the first commit (and maybe the peak lists for the
> > R1 data as well).  I would also just have the rx.out files copied to
> > the base directory as, for example, 'R1.500.out'.  I am guessing that
> > these are R1 standard rates.  There is no need for the relax results
> > files and grace plots for these.  If you wish, you could include the
> > peak lists for the R1 data, but the rest is not necessary for the
> > purpose of this data and just takes up large amounts of space.
> >
> > Another suggestion would be to not use the ending '*.ser' for the peak
> > lists.  This is confusing as it then looks like Bruker 'ser' files -
> > i.e. the FID files.  Is this file ending automatically generated by
> > some NMR software?  Anyway, for a first commit, just having the text
> > files would be best.  The final relax results and grace files can be
> > added once the analysis is debugged and functional, and these could be
> > simply for a small spin subset.  These are large files which will
> > change later anyway.  They are in the other dispersion data
> > directories so that relax users can copy the data and see if they can
> > produce the same results - strangely some users seem to need this.
> >
> > The next step will be for you to make a request to join the relax
> > project at Gna! ;)
> >
> > Regards,
> >
> > Edward
> >
> >
> >
> > On 21 October 2013 12:49, Troels Emtekær Linnet <tlinnet@xxxxxxxxxxxxx>
> > wrote:
> > > Hi Edward.
> > >
> > > Kjaergaard_et_al_2013 sound fine.
> > > About file size
> > >
> > > [tlinnet@tomat relax]$ du -ch
> > > 556K ./peak_lists
> > > 80K ./rx/500_46/grace
> > > 312K ./rx/500_46
> > > 80K ./rx/0_41/grace
> > > 228K ./rx/0_41
> > > 80K ./rx/1000_46/grace
> > > 356K ./rx/1000_46
> > > 80K ./rx/10000_46/grace
> > > 456K ./rx/10000_46
> > > 80K ./rx/0_46/grace
> > > 272K ./rx/0_46
> > > 80K ./rx/1000_41/grace
> > > 332K ./rx/1000_41
> > > 80K ./rx/0_48/grace
> > > 292K ./rx/0_48
> > > 80K ./rx/1000_48/grace
> > > 376K ./rx/1000_48
> > > 80K ./rx/2000_41/grace
> > > 396K ./rx/2000_41
> > > 72K ./rx/0_35/grace
> > > 176K ./rx/0_35
> > > 80K ./rx/0_39/grace
> > > 208K ./rx/0_39
> > > 80K ./rx/2000_46/grace
> > > 416K ./rx/2000_46
> > > 80K ./rx/5000_46/grace
> > > 436K ./rx/5000_46
> > > 80K ./rx/0_43/grace
> > > 248K ./rx/0_43
> > > 4.5M ./rx
> > > 6.5M .
> > > 6.5M total
> > >
> > > ###########################################################
> > >
> > > [tlinnet@tomat relax]$ ls -alhR
> > > .:
> > > total 1.5M
> > > drwxr-xr-x.  4 tlinnet sbinlab 4.0K Oct 21 12:12 .
> > > drwxr-xr-x.  7 tlinnet sbinlab 4.0K Oct 21 12:10 ..
> > > -rw-r--r--.  1 tlinnet sbinlab 5.8K Oct 11 12:37 exp_parameters_sort.txt
> > > -rw-r--r--.  1 tlinnet sbinlab 5.8K Oct 11 12:37 exp_parameters.txt
> > > -rw-r--r--.  1 tlinnet sbinlab  43K Oct 11 14:07 ini_setup_rx.bz2
> > > -rw-r--r--.  1 tlinnet sbinlab 188K Oct 11 14:07 log_rx_1_ini.log
> > > -rw-r--r--.  1 tlinnet sbinlab 1.2M Oct 11 14:10 log_rx_4_run.log
> > > -rw-r--r--.  1 tlinnet sbinlab 5.4K Oct 21 09:04 NOTES.txt
> > > -rw-r--r--.  1 tlinnet sbinlab  735 Oct 21 12:12 omega_rf_ppm.txt
> > > drwxr-xr-x.  2 tlinnet sbinlab 4.0K Oct 11 12:37 peak_lists
> > > -rw-r--r--.  1 tlinnet sbinlab 3.2K Oct 11 15:16 peaks_corr_final.list
> > > -rw-r--r--.  1 tlinnet sbinlab 4.2K Oct 11 12:37 peaks_list.tab
> > > -rw-r--r--.  1 tlinnet sbinlab  234 Oct 11 14:07 pipe_names_rx.txt
> > > -rw-r--r--.  1 tlinnet sbinlab  765 Oct 11 15:07 r1rho_1_ini.py
> > > -rw-r--r--.  1 tlinnet sbinlab  766 Sep 17 17:18 r1rho_1_ini.py~
> > > -rw-r--r--.  1 tlinnet sbinlab 3.1K Oct 21 12:12
> > > r1rho_3_spectra_settings.py
> > > -rw-r--r--.  1 tlinnet sbinlab 3.1K Oct 21 12:12
> > > r1rho_3_spectra_settings.py~
> > > -rw-r--r--.  1 tlinnet sbinlab  907 Oct 11 15:07 r1rho_4_run.py
> > > -rw-r--r--.  1 tlinnet sbinlab  903 Sep 17 18:22 r1rho_4_run.py~
> > > -rw-r--r--.  1 tlinnet sbinlab 3.8K Oct 11 12:37 relax_2_spins.py
> > > -rwxr-xr-x.  1 tlinnet sbinlab  573 Aug 29 10:05 relax_log_to_py.sh
> > > drwxr-xr-x. 16 tlinnet sbinlab 4.0K Oct 11 14:10 rx
> > > -rw-r--r--.  1 tlinnet sbinlab  678 Oct 11 12:45 rx_1_ini.py
> > > -rw-r--r--.  1 tlinnet sbinlab  674 Sep 17 17:05 rx_1_ini.py~
> > > -rw-r--r--.  1 tlinnet sbinlab 2.5K Oct 11 13:56
> > > rx_3_spectra_settings.py
> > > -rw-r--r--.  1 tlinnet sbinlab 2.4K Oct 11 13:55
> > > rx_3_spectra_settings.py~
> > > -rw-r--r--.  1 tlinnet sbinlab  827 Oct 11 12:45 rx_4_run.py
> > > -rw-r--r--.  1 tlinnet sbinlab  823 Sep 17 17:06 rx_4_run.py~
> > >
> > > ./peak_lists:
> > > total 560K
> > > drwxr-xr-x. 2 tlinnet sbinlab 4.0K Oct 11 12:37 .
> > > drwxr-xr-x. 4 tlinnet sbinlab 4.0K Oct 21 12:12 ..
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 10_2000_46_20_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 1_0_46_0_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 11_500_46_0_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 12_500_46_10_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 13_500_46_40_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 14_500_46_4_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 15_500_46_20_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 16_5000_46_0_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 17_5000_46_10_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 18_5000_46_40_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 19_5000_46_4_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 2_0_46_10_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 20_5000_46_20_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 21_1000_46_0_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 22_1000_46_10_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 23_1000_46_40_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 24_1000_46_4_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 25_1000_46_20_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 26_10000_46_0_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 27_10000_46_10_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 28_10000_46_40_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 29_10000_46_4_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 30_10000_46_20_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 3_0_46_40_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 31_0_43_0_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 32_0_43_10_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 33_0_43_40_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 34_0_43_4_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 35_0_43_20_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 36_0_39_0_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 37_0_39_10_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 38_0_39_40_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 39_0_39_4_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 40_0_39_20_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 4_0_46_4_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 41_0_41_0_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 42_0_41_10_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 43_0_41_40_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 44_0_41_4_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 45_0_41_20_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 46_0_35_0_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 47_0_35_10_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 48_0_35_4_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 49_0_35_20_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 50_1000_41_0_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 5_0_46_20_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 51_1000_41_10_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 52_1000_41_40_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 53_1000_41_4_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 54_1000_41_20_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 55_2000_41_0_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 56_2000_41_10_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 57_2000_41_40_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 58_2000_41_4_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 59_2000_41_20_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 60_0_48_0_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 61_0_48_10_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 6_2000_46_0_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 62_0_48_14_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 63_0_48_4_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 64_0_48_20_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 65_1000_48_0_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 66_1000_48_10_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 67_1000_48_14_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 68_1000_48_4_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 69_1000_48_20_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 7_2000_46_10_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 8_2000_46_40_max_standard.ser
> > > -rw-r--r--. 1 tlinnet sbinlab 4.9K Oct 11 12:37
> > > 9_2000_46_4_max_standard.ser
> > >
> > > ./rx:
> > > total 64K
> > > drwxr-xr-x. 16 tlinnet sbinlab 4.0K Oct 11 14:10 .
> > > drwxr-xr-x.  4 tlinnet sbinlab 4.0K Oct 21 12:12 ..
> > > drwxr-xr-x.  3 tlinnet sbinlab 4.0K Oct 11 14:09 0_35
> > > drwxr-xr-x.  3 tlinnet sbinlab 4.0K Oct 11 14:09 0_39
> > > drwxr-xr-x.  3 tlinnet sbinlab 4.0K Oct 11 14:09 0_41
> > > drwxr-xr-x.  3 tlinnet sbinlab 4.0K Oct 11 14:09 0_43
> > > drwxr-xr-x.  3 tlinnet sbinlab 4.0K Oct 11 14:09 0_46
> > > drwxr-xr-x.  3 tlinnet sbinlab 4.0K Oct 11 14:09 0_48
> > > drwxr-xr-x.  3 tlinnet sbinlab 4.0K Oct 11 14:10 10000_46
> > > drwxr-xr-x.  3 tlinnet sbinlab 4.0K Oct 11 14:09 1000_41
> > > drwxr-xr-x.  3 tlinnet sbinlab 4.0K Oct 11 14:09 1000_46
> > > drwxr-xr-x.  3 tlinnet sbinlab 4.0K Oct 11 14:09 1000_48
> > > drwxr-xr-x.  3 tlinnet sbinlab 4.0K Oct 11 14:10 2000_41
> > > drwxr-xr-x.  3 tlinnet sbinlab 4.0K Oct 11 14:10 2000_46
> > > drwxr-xr-x.  3 tlinnet sbinlab 4.0K Oct 11 14:10 5000_46
> > > drwxr-xr-x.  3 tlinnet sbinlab 4.0K Oct 11 14:09 500_46
> > >
> > > ./rx/0_35:
> > > total 112K
> > > drwxr-xr-x.  3 tlinnet sbinlab 4.0K Oct 11 14:09 .
> > > drwxr-xr-x. 16 tlinnet sbinlab 4.0K Oct 11 14:10 ..
> > > drwxr-xr-x.  2 tlinnet sbinlab 4.0K Oct 11 14:09 grace
> > > -rw-r--r--.  1 tlinnet sbinlab  24K Oct 11 14:09 results.bz2
> > > -rw-r--r--.  1 tlinnet sbinlab 5.4K Oct 11 14:09 rx.out
> > > -rw-r--r--.  1 tlinnet sbinlab  66K Oct 11 14:09 rx.save.bz2
> > >
> > > ./rx/0_35/grace:
> > > total 76K
> > > drwxr-xr-x. 2 tlinnet sbinlab 4.0K Oct 11 14:09 .
> > > drwxr-xr-x. 3 tlinnet sbinlab 4.0K Oct 11 14:09 ..
> > > -rw-r--r--. 1 tlinnet sbinlab 3.7K Oct 11 14:09 chi2.agr
> > > -rw-r--r--. 1 tlinnet sbinlab 5.2K Oct 11 14:09 i0.agr
> > > -rw-r--r--. 1 tlinnet sbinlab  23K Oct 11 14:09 intensities.agr
> > > -rw-r--r--. 1 tlinnet sbinlab  23K Oct 11 14:09 intensities_norm.agr
> > > -rw-r--r--. 1 tlinnet sbinlab 5.2K Oct 11 14:09 rx.agr
> > >
> > > ./rx/0_39:
> > > total 136K
> > > drwxr-xr-x.  3 tlinnet sbinlab 4.0K Oct 11 14:09 .
> > > drwxr-xr-x. 16 tlinnet sbinlab 4.0K Oct 11 14:10 ..
> > > drwxr-xr-x.  2 tlinnet sbinlab 4.0K Oct 11 14:09 grace
> > > -rw-r--r--.  1 tlinnet sbinlab  26K Oct 11 14:09 results.bz2
> > > -rw-r--r--.  1 tlinnet sbinlab 5.4K Oct 11 14:09 rx.out
> > > -rw-r--r--.  1 tlinnet sbinlab  87K Oct 11 14:09 rx.save.bz2
> > >
> > > ./rx/0_39/grace:
> > > total 84K
> > > drwxr-xr-x. 2 tlinnet sbinlab 4.0K Oct 11 14:09 .
> > > drwxr-xr-x. 3 tlinnet sbinlab 4.0K Oct 11 14:09 ..
> > > -rw-r--r--. 1 tlinnet sbinlab 3.7K Oct 11 14:09 chi2.agr
> > > -rw-r--r--. 1 tlinnet sbinlab 5.2K Oct 11 14:09 i0.agr
> > > -rw-r--r--. 1 tlinnet sbinlab  26K Oct 11 14:09 intensities.agr
> > > -rw-r--r--. 1 tlinnet sbinlab  26K Oct 11 14:09 intensities_norm.agr
> > > -rw-r--r--. 1 tlinnet sbinlab 5.2K Oct 11 14:09 rx.agr
> > >
> > > ./rx/0_41:
> > > total 156K
> > > drwxr-xr-x.  3 tlinnet sbinlab 4.0K Oct 11 14:09 .
> > > drwxr-xr-x. 16 tlinnet sbinlab 4.0K Oct 11 14:10 ..
> > > drwxr-xr-x.  2 tlinnet sbinlab 4.0K Oct 11 14:09 grace
> > > -rw-r--r--.  1 tlinnet sbinlab  26K Oct 11 14:09 results.bz2
> > > -rw-r--r--.  1 tlinnet sbinlab 5.4K Oct 11 14:09 rx.out
> > > -rw-r--r--.  1 tlinnet sbinlab 105K Oct 11 14:09 rx.save.bz2
> > >
> > > ./rx/0_41/grace:
> > > total 84K
> > > drwxr-xr-x. 2 tlinnet sbinlab 4.0K Oct 11 14:09 .
> > > drwxr-xr-x. 3 tlinnet sbinlab 4.0K Oct 11 14:09 ..
> > > -rw-r--r--. 1 tlinnet sbinlab 3.7K Oct 11 14:09 chi2.agr
> > > -rw-r--r--. 1 tlinnet sbinlab 5.2K Oct 11 14:09 i0.agr
> > > -rw-r--r--. 1 tlinnet sbinlab  26K Oct 11 14:09 intensities.agr
> > > -rw-r--r--. 1 tlinnet sbinlab  26K Oct 11 14:09 intensities_norm.agr
> > > -rw-r--r--. 1 tlinnet sbinlab 5.2K Oct 11 14:09 rx.agr
> > >
> > > ./rx/0_43:
> > > total 176K
> > > drwxr-xr-x.  3 tlinnet sbinlab 4.0K Oct 11 14:09 .
> > > drwxr-xr-x. 16 tlinnet sbinlab 4.0K Oct 11 14:10 ..
> > > drwxr-xr-x.  2 tlinnet sbinlab 4.0K Oct 11 14:09 grace
> > > -rw-r--r--.  1 tlinnet sbinlab  27K Oct 11 14:09 results.bz2
> > > -rw-r--r--.  1 tlinnet sbinlab 5.4K Oct 11 14:09 rx.out
> > > -rw-r--r--.  1 tlinnet sbinlab 127K Oct 11 14:09 rx.save.bz2
> > >
> > > ./rx/0_43/grace:
> > > total 84K
> > > drwxr-xr-x. 2 tlinnet sbinlab 4.0K Oct 11 14:09 .
> > > drwxr-xr-x. 3 tlinnet sbinlab 4.0K Oct 11 14:09 ..
> > > -rw-r--r--. 1 tlinnet sbinlab 3.7K Oct 11 14:09 chi2.agr
> > > -rw-r--r--. 1 tlinnet sbinlab 5.2K Oct 11 14:09 i0.agr
> > > -rw-r--r--. 1 tlinnet sbinlab  26K Oct 11 14:09 intensities.agr
> > > -rw-r--r--. 1 tlinnet sbinlab  26K Oct 11 14:09 intensities_norm.agr
> > > -rw-r--r--. 1 tlinnet sbinlab 5.2K Oct 11 14:09 rx.agr
> > >
> > > ./rx/0_46:
> > > total 200K
> > > drwxr-xr-x.  3 tlinnet sbinlab 4.0K Oct 11 14:09 .
> > > drwxr-xr-x. 16 tlinnet sbinlab 4.0K Oct 11 14:10 ..
> > > drwxr-xr-x.  2 tlinnet sbinlab 4.0K Oct 11 14:09 grace
> > > -rw-r--r--.  1 tlinnet sbinlab  26K Oct 11 14:09 results.bz2
> > > -rw-r--r--.  1 tlinnet sbinlab 5.4K Oct 11 14:09 rx.out
> > > -rw-r--r--.  1 tlinnet sbinlab 150K Oct 11 14:09 rx.save.bz2
> > >
> > > ./rx/0_46/grace:
> > > total 84K
> > > drwxr-xr-x. 2 tlinnet sbinlab 4.0K Oct 11 14:09 .
> > > drwxr-xr-x. 3 tlinnet sbinlab 4.0K Oct 11 14:09 ..
> > > -rw-r--r--. 1 tlinnet sbinlab 3.7K Oct 11 14:09 chi2.agr
> > > -rw-r--r--. 1 tlinnet sbinlab 5.2K Oct 11 14:09 i0.agr
> > > -rw-r--r--. 1 tlinnet sbinlab  26K Oct 11 14:09 intensities.agr
> > > -rw-r--r--. 1 tlinnet sbinlab  26K Oct 11 14:09 intensities_norm.agr
> > > -rw-r--r--. 1 tlinnet sbinlab 5.2K Oct 11 14:09 rx.agr
> > >
> > > ./rx/0_48:
> > > total 220K
> > > drwxr-xr-x.  3 tlinnet sbinlab 4.0K Oct 11 14:09 .
> > > drwxr-xr-x. 16 tlinnet sbinlab 4.0K Oct 11 14:10 ..
> > > drwxr-xr-x.  2 tlinnet sbinlab 4.0K Oct 11 14:09 grace
> > > -rw-r--r--.  1 tlinnet sbinlab  26K Oct 11 14:09 results.bz2
> > > -rw-r--r--.  1 tlinnet sbinlab 5.4K Oct 11 14:09 rx.out
> > > -rw-r--r--.  1 tlinnet sbinlab 169K Oct 11 14:09 rx.save.bz2
> > >
> > > ./rx/0_48/grace:
> > > total 84K
> > > drwxr-xr-x. 2 tlinnet sbinlab 4.0K Oct 11 14:09 .
> > > drwxr-xr-x. 3 tlinnet sbinlab 4.0K Oct 11 14:09 ..
> > > -rw-r--r--. 1 tlinnet sbinlab 3.7K Oct 11 14:09 chi2.agr
> > > -rw-r--r--. 1 tlinnet sbinlab 5.2K Oct 11 14:09 i0.agr
> > > -rw-r--r--. 1 tlinnet sbinlab  26K Oct 11 14:09 intensities.agr
> > > -rw-r--r--. 1 tlinnet sbinlab  26K Oct 11 14:09 intensities_norm.agr
> > > -rw-r--r--. 1 tlinnet sbinlab 5.2K Oct 11 14:09 rx.agr
> > >
> > > ./rx/10000_46:
> > > total 384K
> > > drwxr-xr-x.  3 tlinnet sbinlab 4.0K Oct 11 14:10 .
> > > drwxr-xr-x. 16 tlinnet sbinlab 4.0K Oct 11 14:10 ..
> > > drwxr-xr-x.  2 tlinnet sbinlab 4.0K Oct 11 14:10 grace
> > > -rw-r--r--.  1 tlinnet sbinlab  26K Oct 11 14:10 results.bz2
> > > -rw-r--r--.  1 tlinnet sbinlab 5.4K Oct 11 14:10 rx.out
> > > -rw-r--r--.  1 tlinnet sbinlab 336K Oct 11 14:10 rx.save.bz2
> > >
> > > ./rx/10000_46/grace:
> > > total 84K
> > > drwxr-xr-x. 2 tlinnet sbinlab 4.0K Oct 11 14:10 .
> > > drwxr-xr-x. 3 tlinnet sbinlab 4.0K Oct 11 14:10 ..
> > > -rw-r--r--. 1 tlinnet sbinlab 3.7K Oct 11 14:10 chi2.agr
> > > -rw-r--r--. 1 tlinnet sbinlab 5.2K Oct 11 14:10 i0.agr
> > > -rw-r--r--. 1 tlinnet sbinlab  26K Oct 11 14:10 intensities.agr
> > > -rw-r--r--. 1 tlinnet sbinlab  26K Oct 11 14:10 intensities_norm.agr
> > > -rw-r--r--. 1 tlinnet sbinlab 5.2K Oct 11 14:10 rx.agr
> > >
> > > ./rx/1000_41:
> > > total 260K
> > > drwxr-xr-x.  3 tlinnet sbinlab 4.0K Oct 11 14:09 .
> > > drwxr-xr-x. 16 tlinnet sbinlab 4.0K Oct 11 14:10 ..
> > > drwxr-xr-x.  2 tlinnet sbinlab 4.0K Oct 11 14:09 grace
> > > -rw-r--r--.  1 tlinnet sbinlab  26K Oct 11 14:09 results.bz2
> > > -rw-r--r--.  1 tlinnet sbinlab 5.4K Oct 11 14:09 rx.out
> > > -rw-r--r--.  1 tlinnet sbinlab 211K Oct 11 14:09 rx.save.bz2
> > >
> > > ./rx/1000_41/grace:
> > > total 84K
> > > drwxr-xr-x. 2 tlinnet sbinlab 4.0K Oct 11 14:09 .
> > > drwxr-xr-x. 3 tlinnet sbinlab 4.0K Oct 11 14:09 ..
> > > -rw-r--r--. 1 tlinnet sbinlab 3.7K Oct 11 14:09 chi2.agr
> > > -rw-r--r--. 1 tlinnet sbinlab 5.2K Oct 11 14:09 i0.agr
> > > -rw-r--r--. 1 tlinnet sbinlab  26K Oct 11 14:09 intensities.agr
> > > -rw-r--r--. 1 tlinnet sbinlab  26K Oct 11 14:09 intensities_norm.agr
> > > -rw-r--r--. 1 tlinnet sbinlab 5.2K Oct 11 14:09 rx.agr
> > >
> > > ./rx/1000_46:
> > > total 284K
> > > drwxr-xr-x.  3 tlinnet sbinlab 4.0K Oct 11 14:09 .
> > > drwxr-xr-x. 16 tlinnet sbinlab 4.0K Oct 11 14:10 ..
> > > drwxr-xr-x.  2 tlinnet sbinlab 4.0K Oct 11 14:09 grace
> > > -rw-r--r--.  1 tlinnet sbinlab  26K Oct 11 14:09 results.bz2
> > > -rw-r--r--.  1 tlinnet sbinlab 5.4K Oct 11 14:09 rx.out
> > > -rw-r--r--.  1 tlinnet sbinlab 233K Oct 11 14:09 rx.save.bz2
> > >
> > > ./rx/1000_46/grace:
> > > total 84K
> > > drwxr-xr-x. 2 tlinnet sbinlab 4.0K Oct 11 14:09 .
> > > drwxr-xr-x. 3 tlinnet sbinlab 4.0K Oct 11 14:09 ..
> > > -rw-r--r--. 1 tlinnet sbinlab 3.7K Oct 11 14:09 chi2.agr
> > > -rw-r--r--. 1 tlinnet sbinlab 5.2K Oct 11 14:09 i0.agr
> > > -rw-r--r--. 1 tlinnet sbinlab  26K Oct 11 14:09 intensities.agr
> > > -rw-r--r--. 1 tlinnet sbinlab  26K Oct 11 14:09 intensities_norm.agr
> > > -rw-r--r--. 1 tlinnet sbinlab 5.2K Oct 11 14:09 rx.agr
> > >
> > > ./rx/1000_48:
> > > total 304K
> > > drwxr-xr-x.  3 tlinnet sbinlab 4.0K Oct 11 14:09 .
> > > drwxr-xr-x. 16 tlinnet sbinlab 4.0K Oct 11 14:10 ..
> > > drwxr-xr-x.  2 tlinnet sbinlab 4.0K Oct 11 14:09 grace
> > > -rw-r--r--.  1 tlinnet sbinlab  26K Oct 11 14:09 results.bz2
> > > -rw-r--r--.  1 tlinnet sbinlab 5.4K Oct 11 14:09 rx.out
> > > -rw-r--r--.  1 tlinnet sbinlab 253K Oct 11 14:10 rx.save.bz2
> > >
> > > ./rx/1000_48/grace:
> > > total 84K
> > > drwxr-xr-x. 2 tlinnet sbinlab 4.0K Oct 11 14:09 .
> > > drwxr-xr-x. 3 tlinnet sbinlab 4.0K Oct 11 14:09 ..
> > > -rw-r--r--. 1 tlinnet sbinlab 3.7K Oct 11 14:09 chi2.agr
> > > -rw-r--r--. 1 tlinnet sbinlab 5.2K Oct 11 14:09 i0.agr
> > > -rw-r--r--. 1 tlinnet sbinlab  26K Oct 11 14:09 intensities.agr
> > > -rw-r--r--. 1 tlinnet sbinlab  26K Oct 11 14:09 intensities_norm.agr
> > > -rw-r--r--. 1 tlinnet sbinlab 5.2K Oct 11 14:09 rx.agr
> > >
> > > ./rx/2000_41:
> > > total 324K
> > > drwxr-xr-x.  3 tlinnet sbinlab 4.0K Oct 11 14:10 .
> > > drwxr-xr-x. 16 tlinnet sbinlab 4.0K Oct 11 14:10 ..
> > > drwxr-xr-x.  2 tlinnet sbinlab 4.0K Oct 11 14:10 grace
> > > -rw-r--r--.  1 tlinnet sbinlab  26K Oct 11 14:10 results.bz2
> > > -rw-r--r--.  1 tlinnet sbinlab 5.4K Oct 11 14:10 rx.out
> > > -rw-r--r--.  1 tlinnet sbinlab 274K Oct 11 14:10 rx.save.bz2
> > >
> > > ./rx/2000_41/grace:
> > > total 84K
> > > drwxr-xr-x. 2 tlinnet sbinlab 4.0K Oct 11 14:10 .
> > > drwxr-xr-x. 3 tlinnet sbinlab 4.0K Oct 11 14:10 ..
> > > -rw-r--r--. 1 tlinnet sbinlab 3.7K Oct 11 14:10 chi2.agr
> > > -rw-r--r--. 1 tlinnet sbinlab 5.2K Oct 11 14:10 i0.agr
> > > -rw-r--r--. 1 tlinnet sbinlab  26K Oct 11 14:10 intensities.agr
> > > -rw-r--r--. 1 tlinnet sbinlab  26K Oct 11 14:10 intensities_norm.agr
> > > -rw-r--r--. 1 tlinnet sbinlab 5.2K Oct 11 14:10 rx.agr
> > >
> > > ./rx/2000_46:
> > > total 344K
> > > drwxr-xr-x.  3 tlinnet sbinlab 4.0K Oct 11 14:10 .
> > > drwxr-xr-x. 16 tlinnet sbinlab 4.0K Oct 11 14:10 ..
> > > drwxr-xr-x.  2 tlinnet sbinlab 4.0K Oct 11 14:10 grace
> > > -rw-r--r--.  1 tlinnet sbinlab  26K Oct 11 14:10 results.bz2
> > > -rw-r--r--.  1 tlinnet sbinlab 5.4K Oct 11 14:10 rx.out
> > > -rw-r--r--.  1 tlinnet sbinlab 293K Oct 11 14:10 rx.save.bz2
> > >
> > > ./rx/2000_46/grace:
> > > total 84K
> > > drwxr-xr-x. 2 tlinnet sbinlab 4.0K Oct 11 14:10 .
> > > drwxr-xr-x. 3 tlinnet sbinlab 4.0K Oct 11 14:10 ..
> > > -rw-r--r--. 1 tlinnet sbinlab 3.7K Oct 11 14:10 chi2.agr
> > > -rw-r--r--. 1 tlinnet sbinlab 5.2K Oct 11 14:10 i0.agr
> > > -rw-r--r--. 1 tlinnet sbinlab  26K Oct 11 14:10 intensities.agr
> > > -rw-r--r--. 1 tlinnet sbinlab  26K Oct 11 14:10 intensities_norm.agr
> > > -rw-r--r--. 1 tlinnet sbinlab 5.2K Oct 11 14:10 rx.agr
> > >
> > > ./rx/5000_46:
> > > total 364K
> > > drwxr-xr-x.  3 tlinnet sbinlab 4.0K Oct 11 14:10 .
> > > drwxr-xr-x. 16 tlinnet sbinlab 4.0K Oct 11 14:10 ..
> > > drwxr-xr-x.  2 tlinnet sbinlab 4.0K Oct 11 14:10 grace
> > > -rw-r--r--.  1 tlinnet sbinlab  26K Oct 11 14:10 results.bz2
> > > -rw-r--r--.  1 tlinnet sbinlab 5.4K Oct 11 14:10 rx.out
> > > -rw-r--r--.  1 tlinnet sbinlab 315K Oct 11 14:10 rx.save.bz2
> > >
> > > ./rx/5000_46/grace:
> > > total 84K
> > > drwxr-xr-x. 2 tlinnet sbinlab 4.0K Oct 11 14:10 .
> > > drwxr-xr-x. 3 tlinnet sbinlab 4.0K Oct 11 14:10 ..
> > > -rw-r--r--. 1 tlinnet sbinlab 3.7K Oct 11 14:10 chi2.agr
> > > -rw-r--r--. 1 tlinnet sbinlab 5.2K Oct 11 14:10 i0.agr
> > > -rw-r--r--. 1 tlinnet sbinlab  26K Oct 11 14:10 intensities.agr
> > > -rw-r--r--. 1 tlinnet sbinlab  26K Oct 11 14:10 intensities_norm.agr
> > > -rw-r--r--. 1 tlinnet sbinlab 5.2K Oct 11 14:10 rx.agr
> > >
> > > ./rx/500_46:
> > > total 240K
> > > drwxr-xr-x.  3 tlinnet sbinlab 4.0K Oct 11 14:09 .
> > > drwxr-xr-x. 16 tlinnet sbinlab 4.0K Oct 11 14:10 ..
> > > drwxr-xr-x.  2 tlinnet sbinlab 4.0K Oct 11 14:09 grace
> > > -rw-r--r--.  1 tlinnet sbinlab  26K Oct 11 14:09 results.bz2
> > > -rw-r--r--.  1 tlinnet sbinlab 5.4K Oct 11 14:09 rx.out
> > > -rw-r--r--.  1 tlinnet sbinlab 190K Oct 11 14:09 rx.save.bz2
> > >
> > > ./rx/500_46/grace:
> > > total 84K
> > > drwxr-xr-x. 2 tlinnet sbinlab 4.0K Oct 11 14:09 .
> > > drwxr-xr-x. 3 tlinnet sbinlab 4.0K Oct 11 14:09 ..
> > > -rw-r--r--. 1 tlinnet sbinlab 3.7K Oct 11 14:09 chi2.agr
> > > -rw-r--r--. 1 tlinnet sbinlab 5.2K Oct 11 14:09 i0.agr
> > > -rw-r--r--. 1 tlinnet sbinlab  26K Oct 11 14:09 intensities.agr
> > > -rw-r--r--. 1 tlinnet sbinlab  26K Oct 11 14:09 intensities_norm.agr
> > > -rw-r--r--. 1 tlinnet sbinlab 5.2K Oct 11 14:09 rx.agr
> > > [tlinnet@tomat relax]$
> > >
> > >
> > >
> > >
> > > 2013/10/21 Edward d'Auvergne <edward@xxxxxxxxxxxxx>
> > > > Hi Troels,
> > > >
> > > > This sounds great!  The directory name could maybe be shortened to
> > > > Kjaergaard_2013 or Kjaergaard_et_al_2013.  What do you think?  Could
> > > > you also give a breakdown of the files and what the big ones are?  The
> > > > ~6 Mb seems a little large for a collection of text files.  Maybe you
> > > > could copy the output of 'du -ch' and 'ls -alhR' to show what will be
> > > > added?  It would be better if the size is much, much smaller.
> > > >
> > > > Cheers,
> > > >
> > > > Edward
> > > >
> > > > On 21 October 2013 12:36, Troels Emtekær Linnet <tlinnet@xxxxxxxxxxxxx>
> > > > wrote:
> > > > > Hi Edward.
> > > > >
> > > > > I would like to add the data set for an R1rho analysis, where both
> > > > > the spin-lock time, the spin lock offset and the spin lock field is
> > > > > varied.
> > > > >
> > > > > The data is published in:
> > > > > A Folded Excited State of Ligand-Free Nuclear Coactivator Binding
> > > > > Domain
> > > > > (NCBD) Underlies Plasticity in Ligand Recognition.
> > > > > Kjaergaard, M., Andersen, L., Nielsen, L.D. & Teilum, K. (2013).
> > > > > Biochemistry 52, 1686–1693
> > > > >
> > > > > with experimental conditions that
> > > > > "off-resonance R1ρ relaxation dispersion experiments on 15N were
> > > > > recorded at
> > > > > 18.8 T and 31 C."
> > > > > "using the pulse sequence of Mulder et al. with spin-lock field
> > > > > strengths
> > > > > from 431 to 1649 Hz and offsets ranging from 0 to 10000 Hz."
> > > > >
> > > > > I suggest the data to be put in:
> > > > > test_suite/shared_data/MKjaergaard_LNielsen_LDNielsen_KTeilum_2013
> > > > >
> > > > > The folder is 5.9 MB.
> > > > >
> > > > > Best
> > > > > Troels
> > > > >
> > > > >
> > > > > _______________________________________________
> > > > > relax (http://www.nmr-relax.com)
> > > > >
> > > > > This is the relax-devel mailing list
> > > > > relax-devel@xxxxxxx
> > > > >
> > > > > To unsubscribe from this list, get a password
> > > > > reminder, or change your subscription options,
> > > > > visit the list information page at
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