Index of /ftp/pub/bmrb/metabolomics/entry_directories/bmse001221

[ICO]NameLast modifiedSizeDescription

[DIR]Parent Directory  -
[   ]bmse001221.mol07-Nov-2018 18:37 3.8K
[IMG]bmse001221.png07-Nov-2018 18:37 104K
[   ]bmse001221.sdf07-Nov-2018 18:37 6.4K
[TXT]bmse001221.str07-Nov-2018 18:37 125K
[IMG]bmse001221.svg07-Nov-2018 18:37 4.2K
[IMG]bmse001221_nom.svg07-Nov-2018 18:37 18K
[DIR]nmr/07-Nov-2018 18:37 -

Directory contents:
<BMRB ID>.sdf         -- SDF: source for the molecule info, usually downloaded from PubChem.
<BMRB ID>.mol         -- MOL version of the above.
<BMRB ID>.str         -- NMR-STAR file for the entry. NMR_Experiment_File and Experiment tables
                         link data directories to experiment details such as sample, conditions,
                         spectrometer information, etc.
<BMRB ID>_nom.svg     -- 2D molecule image with atom labels (matching atom names in the NMR-STAR file
                         and the order in SDF/MOL files).
<BMRB ID>.png         -- 3D molecule image
<BMRB ID>.svg         -- 2D molecule image

nmr                   -- NMR experiment data.
nmr/setNN             -- "set01" should always be there. E.g. concentration or pH study may contain
                         more that one set of NMR data.
                         Subdirectories are in TopSpin format: "1", "2", etc.
nmr/setNN/NMRbot*.txt -- NMRbot log file.
nmr/setNN/spectra     -- spectral images. If more than one, image named *_0 is the full spectrum.
nmr/setNN/transitions -- Peak lists.