Index of /ftp/pub/bmrb/metabolomics/entry_directories/bmse001175

[ICO]NameLast modifiedSizeDescription

[DIR]Parent Directory  -
[   ]bmse001175.mol14-Mar-2018 18:28 6.8K
[IMG]bmse001175.png11-Oct-2017 15:20 82K
[   ]bmse001175.sdf11-Oct-2017 15:20 9.2K
[TXT]bmse001175.str14-Mar-2018 18:28 141K
[IMG]bmse001175.svg11-Oct-2017 15:20 1.1K
[IMG]bmse001175_nom.svg14-Mar-2018 18:28 28K
[DIR]nmr/11-Oct-2017 15:20 -

Directory contents:
<BMRB ID>.sdf         -- SDF: source for the molecule info, usually downloaded from PubChem.
<BMRB ID>.str         -- NMR-STAR file for the entry. NMR_Experiment_File and Experiment tables link the "nmrNN" directories
                         to experiment details such as sample, conditions, spectrometer information, etc.
<BMRB ID>.mol         -- mol file for 3D viewer
<BMRB ID>.png         -- 3D molecule image
<BMRB ID>.svg         -- 2D molecule image
<BMRB ID>_nom.svg     -- 2D molecule image with atom labels (atom names in chemical shifts table in the NMR-STAR file).

lit                   -- symlink to . for compatibility with old layout.

nmr                   -- NMR experiment data. These are in TopSpin format, with "human-readable" symlinks to experiment directories
                         e.g. "1H" -> "1", "13C" -> "2", and so on.

nmr/setNN             -- "set01" should always be there. E.g. concentration or pH study may contain more that one set of NMR data.

nmr/setNN/spectra     -- spectral images. Image named *_0 is the full spectrum.
nmr/setNN/transitions -- Peak lists.