Index of /ftp/pub/bmrb/metabolomics/standards_tar

[ICO]NameLast modifiedSizeDescription
[DIR]Parent Directory  -  
[ ]jres_tar_01.list21-Sep-2012 00:31 215  
[ ]jres_tar_01.tar.gz21-Sep-2012 01:15 268M 
[ ]jres_tar_02.list21-Sep-2012 00:38 195  
[ ]jres_tar_02.tar.gz21-Sep-2012 01:15 270M 
[ ]jres_tar_03.list21-Sep-2012 00:45 243  
[ ]jres_tar_03.tar.gz21-Sep-2012 01:15 273M 
[ ]jres_tar_04.list21-Sep-2012 00:52 208  
[ ]jres_tar_04.tar.gz21-Sep-2012 01:16 273M 
[ ]jres_tar_05.list21-Sep-2012 00:58 222  
[ ]jres_tar_05.tar.gz21-Sep-2012 01:16 265M 
[ ]jres_tar_06.list21-Sep-2012 01:04 211  
[ ]jres_tar_06.tar.gz21-Sep-2012 01:16 285M 
[ ]jres_tar_07.list21-Sep-2012 01:09 204  
[ ]jres_tar_07.tar.gz21-Sep-2012 01:16 287M 
[ ]jres_tar_08.list19-Feb-2013 05:32 244  
[ ]jres_tar_08.tar.gz19-Feb-2013 05:32 311M 
[ ]supplemental_proton.list11-Oct-2012 00:19 81  
[ ]supplemental_proton.tar.gz11-Oct-2012 00:24 12M 
[ ]tar_01.list09-Nov-2011 23:47 701  
[ ]tar_01.tar.gz09-Nov-2011 23:49 651M 
[ ]tar_02.list09-Nov-2011 05:37 611  
[ ]tar_02.tar.gz09-Nov-2011 05:37 493M 
[ ]tar_03.list09-Nov-2011 05:42 448  
[ ]tar_03.tar.gz09-Nov-2011 05:42 529M 
[ ]tar_04.list09-Nov-2011 05:47 363  
[ ]tar_04.tar.gz09-Nov-2011 05:47 405M 
[ ]tar_05.list09-Nov-2011 05:52 623  
[ ]tar_05.tar.gz09-Nov-2011 05:52 689M 
[ ]tar_06.list09-Nov-2011 05:58 642  
[ ]tar_06.tar.gz09-Nov-2011 05:58 430M 
[ ]tar_07.list09-Nov-2011 06:02 542  
[ ]tar_07.tar.gz09-Nov-2011 06:02 393M 
[ ]tar_08.list09-Nov-2011 06:06 609  
[ ]tar_08.tar.gz09-Nov-2011 06:06 334M 
[ ]tar_09.list09-Nov-2011 06:10 569  
[ ]tar_09.tar.gz09-Nov-2011 06:10 341M 
[ ]tar_10.list15-Oct-2012 23:52 495  
[ ]tar_10.tar.gz15-Oct-2012 23:57 418M 
[ ]tar_11.list09-Nov-2011 06:19 594  
[ ]tar_11.tar.gz09-Nov-2011 06:19 449M 
[ ]tar_12.list10-Aug-2010 23:22 557  
[ ]tar_12.tar.gz10-Aug-2010 23:22 390M 
[ ]tar_13.list20-Mar-2010 00:24 107  
[ ]tar_13.tar.gz20-Mar-2010 00:24 286M 
[ ]tar_14.list20-Mar-2010 00:27 144  
[ ]tar_14.tar.gz20-Mar-2010 00:28 290M 
[ ]tar_15.list20-Mar-2010 00:32 223  
[ ]tar_15.tar.gz20-Mar-2010 00:32 576M 
[ ]tar_16.list20-Mar-2010 00:44 723  
[ ]tar_16.tar.gz20-Mar-2010 00:45 1.5G 
[ ]tar_17.list09-Nov-2011 06:26 524  
[ ]tar_17.tar.gz09-Nov-2011 06:27 1.4G 
[ ]tar_18.list10-Aug-2010 23:28 509  
[ ]tar_18.tar.gz10-Aug-2010 23:28 1.1G 
[ ]tar_19.list20-Mar-2010 01:37 485  
[ ]tar_19.tar.gz20-Mar-2010 01:38 1.1G 
[ ]tar_20.list20-Mar-2010 01:54 656  
[ ]tar_20.tar.gz20-Mar-2010 01:55 1.6G 
[ ]tar_21.list21-Sep-2012 01:32 661  
[ ]tar_21.tar.gz21-Sep-2012 01:36 2.1G 
[ ]tar_22.list11-Aug-2010 00:13 651  
[ ]tar_22.tar.gz11-Aug-2010 00:14 1.6G 
[ ]tar_23.list09-Nov-2011 06:39 419  
[ ]tar_23.tar.gz09-Nov-2011 06:40 1.5G 
[ ]tar_24.list09-Dec-2010 04:16 376  
[ ]tar_24.tar.gz09-Dec-2010 04:17 1.5G 
[ ]tar_25.list11-Mar-2011 06:42 237  
[ ]tar_25.tar.gz11-Mar-2011 06:42 1.0G 
[ ]tar_26.list20-Mar-2010 03:44 431  
[ ]tar_26.tar.gz20-Mar-2010 03:45 1.4G 
[ ]tar_27.list20-Mar-2010 04:05 350  
[ ]tar_27.tar.gz20-Mar-2010 04:06 937M 
[ ]tar_28.list11-Aug-2010 03:03 182  
[ ]tar_28.tar.gz11-Aug-2010 03:07 513M 
[ ]tar_29.list11-Mar-2011 06:49 137  
[ ]tar_29.tar.gz11-Mar-2011 06:49 608M 
[ ]tar_30.list11-Aug-2010 03:08 119  
[ ]tar_30.tar.gz11-Aug-2010 03:36 424M 
[ ]tar_31.list11-Aug-2010 03:20 110  
[ ]tar_31.tar.gz11-Aug-2010 03:39 367M 
[ ]tar_32.list11-Mar-2011 06:53 99  
[ ]tar_32.tar.gz11-Mar-2011 06:53 426M 
[ ]tar_33.list11-Aug-2010 02:41 157  
[ ]tar_33.tar.gz11-Aug-2010 03:41 427M 
[ ]tar_34.list20-Mar-2010 05:38 222  
[ ]tar_34.tar.gz20-Mar-2010 05:38 507M 
[ ]tar_35.list20-Mar-2010 03:55 138  
[ ]tar_35.tar.gz20-Mar-2010 03:56 435M 
[ ]tar_36.list11-Aug-2010 01:20 492  
[ ]tar_36.tar.gz11-Aug-2010 01:31 1.2G 
[ ]tar_37.list20-Mar-2010 04:33 304  
[ ]tar_37.tar.gz20-Mar-2010 04:34 904M 
[ ]tar_38.list10-Aug-2010 23:44 491  
[ ]tar_38.tar.gz10-Aug-2010 23:50 836M 
[ ]tar_39.list20-Mar-2010 04:51 309  
[ ]tar_39.tar.gz20-Mar-2010 04:52 1.0G 
[ ]tar_40.list26-Sep-2012 05:04 19  
[ ]tar_40.tar26-Sep-2012 05:06 17M 
[ ]tar_41.list20-Mar-2010 05:05 348  
[ ]tar_41.tar.gz20-Mar-2010 05:06 829M 
[ ]tar_42.list16-Nov-2010 06:03 129  
[ ]tar_42.tar.gz16-Nov-2010 06:03 474M 
[ ]tar_43.list30-Jan-2010 02:25 169  
[ ]tar_43.tar.gz30-Jan-2010 02:25 365M 
[ ]tar_44.list30-Jan-2010 02:30 59  
[ ]tar_44.tar.gz30-Jan-2010 02:30 117M 
[ ]tar_45.list20-Mar-2010 05:15 174  
[ ]tar_45.tar.gz20-Mar-2010 05:16 316M 
[ ]tar_46.list20-Mar-2010 05:20 107  
[ ]tar_46.tar.gz20-Mar-2010 05:21 179M 
[ ]tar_47.list30-Jan-2010 02:45 219  
[ ]tar_47.tar.gz30-Jan-2010 02:45 293M 
[ ]tar_48.list30-Jan-2010 02:47 154  
[ ]tar_48.tar.gz30-Jan-2010 02:47 212M 
[ ]tar_49.list08-Sep-2010 01:01 174  
[ ]tar_49.tar.gz08-Sep-2010 01:02 268M 
[ ]tar_50.list08-Sep-2010 01:05 212  
[ ]tar_50.tar.gz08-Sep-2010 01:05 293M 
[ ]tar_51.list08-Sep-2010 01:08 192  
[ ]tar_51.tar.gz08-Sep-2010 01:09 284M 
[ ]tar_52.list08-Sep-2010 01:12 195  
[ ]tar_52.tar.gz08-Sep-2010 01:12 271M 
[ ]tar_53.list17-Aug-2010 04:18 148  
[ ]tar_53.tar.gz17-Aug-2010 04:46 179M 
[ ]tar_54.list10-Aug-2010 03:41 287  
[ ]tar_54.tar.gz10-Aug-2010 03:41 316M 
[ ]tar_55.list11-Mar-2011 06:56 259  
[ ]tar_55.tar.gz11-Mar-2011 06:56 384M 
[ ]tar_56.list08-Sep-2010 01:21 270  
[ ]tar_56.tar.gz08-Sep-2010 01:22 394M 
[ ]tar_57.list26-May-2012 04:33 81  
[ ]tar_57.tar.gz26-May-2012 04:41 117M 
[ ]tar_58.list10-Aug-2010 03:56 119  
[ ]tar_58.tar.gz10-Aug-2010 03:57 170M 
[ ]tar_59.list21-Oct-2010 00:30 97  
[ ]tar_59.tar.gz21-Oct-2010 00:35 178M 
[ ]tar_60.list19-Oct-2010 05:23 222  
[ ]tar_60.tar.gz19-Oct-2010 05:23 320M 
[ ]tar_61.list26-Sep-2012 05:46 261  
[ ]tar_61.tar.gz26-Sep-2012 05:47 501M 
[ ]tar_62.list03-Sep-2010 05:02 188  
[ ]tar_62.tar.gz16-Sep-2010 02:42 197M 
[ ]tar_63.list11-Mar-2011 07:03 82  
[ ]tar_63.tar.gz11-Mar-2011 07:03 179M 
[ ]tar_64.list22-Sep-2010 06:09 109  
[ ]tar_64.tar.gz22-Sep-2010 06:09 143M 
[ ]tar_65.list09-Nov-2011 06:49 57  
[ ]tar_65.tar.gz09-Nov-2011 06:49 103M 
[ ]tar_67.list29-Oct-2011 01:41 103  
[ ]tar_67.tar.gz29-Oct-2011 01:32 133M 
[ ]tar_68.list26-Sep-2012 05:51 121  
[ ]tar_68.tar.gz26-Sep-2012 05:52 167M 
[ ]tar_69.list02-Nov-2011 05:09 202  
[ ]tar_69.tar.gz02-Nov-2011 05:09 235M 
[ ]tar_70.list26-Sep-2012 05:54 143  
[ ]tar_70.tar.gz26-Sep-2012 05:55 182M 
[ ]tar_71.list15-Nov-2011 06:32 79  
[ ]tar_71.tar.gz15-Nov-2011 06:32 132M 
[ ]tar_72.list15-Nov-2011 06:37 146  
[ ]tar_72.tar.gz15-Nov-2011 06:37 231M 
[ ]tar_73.list17-Nov-2011 05:02 167  
[ ]tar_73.tar.gz17-Nov-2011 05:02 232M 
[ ]tar_74.list06-Dec-2011 02:41 259  
[ ]tar_74.tar.gz06-Dec-2011 02:48 371M 
[ ]tar_75.list18-Feb-2012 06:32 145  
[ ]tar_75.tar.gz18-Feb-2012 06:32 286M 
[ ]tar_76.list26-Sep-2012 06:50 106  
[ ]tar_76.tar.gz26-Sep-2012 06:50 193M 
[ ]tar_77.list15-Mar-2012 02:09 141  
[ ]tar_77.tar.gz15-Mar-2012 02:09 307M 
[ ]tar_78.list28-Mar-2012 05:32 172  
[ ]tar_78.tar.gz28-Mar-2012 05:32 410M 
[ ]tar_79.list13-Apr-2012 04:35 22  
[ ]tar_79.tar.gz13-Apr-2012 04:35 597K 
[ ]tar_80.list14-Apr-2012 02:41 110  
[ ]tar_80.tar.gz14-Apr-2012 02:41 231M 
[ ]tar_81.list26-Apr-2012 02:43 178  
[ ]tar_81.tar.gz26-Apr-2012 02:43 447M 
[ ]tar_82.list02-May-2012 01:08 378  
[ ]tar_82.tar.gz02-May-2012 01:08 180M 
[ ]tar_83.list18-May-2012 05:13 140  
[ ]tar_83.tar.gz18-May-2012 05:13 294M 
[ ]tar_84.list08-Jun-2012 04:39 127  
[ ]tar_84.tar.gz08-Jun-2012 04:45 289M 
[ ]tar_85.list13-Jun-2012 05:00 133  
[ ]tar_85.tar.gz13-Jun-2012 05:02 304M 
[ ]tar_86.list28-Jul-2012 04:31 164  
[ ]tar_86.tar.gz28-Jul-2012 04:31 433M 
[ ]tar_87.list03-Aug-2012 03:52 62  
[ ]tar_87.tar.gz03-Aug-2012 03:52 120M 
[ ]tar_88.list29-Aug-2012 02:33 183  
[ ]tar_88.tar.gz29-Aug-2012 02:33 415M 
[ ]tar_89.list11-Oct-2012 01:49 178  
[ ]tar_89.tar.gz11-Oct-2012 02:20 165M 
[ ]tar_90.list11-Oct-2012 02:29 183  
[ ]tar_90.tar.gz11-Oct-2012 02:30 372M 
[ ]tar_91.list11-Oct-2012 02:25 174  
[ ]tar_91.tar.gz11-Oct-2012 02:49 433M 
[ ]tar_92.list11-Oct-2012 02:26 149  
[ ]tar_92.tar.gz02-Nov-2012 03:09 279M 
[ ]tar_93.list11-Oct-2012 02:26 82  
[ ]tar_93.tar.gz11-Oct-2012 02:56 114M 
[ ]tar_94.list15-Jan-2013 03:46 128  
[ ]tar_94.tar.gz15-Jan-2013 03:42 243M 
[ ]tar_95.list27-Feb-2013 01:09 127  
[ ]tar_95.tar.gz22-Feb-2013 05:39 127M 
[ ]tar_96.list27-Feb-2013 05:55 136  
[ ]tar_96.tar.gz27-Feb-2013 05:55 290M 
[ ]tar_600MHz_01.list11-Oct-2012 03:12 116  
[ ]tar_600MHz_01.tar.gz11-Oct-2012 03:30 270M 
[ ]tar_600MHz_02.list11-Oct-2012 03:12 131  
[ ]tar_600MHz_02.tar.gz11-Oct-2012 03:38 281M 
[ ]tar_600MHz_03.list11-Oct-2012 03:13 131  
[ ]tar_600MHz_03.tar.gz11-Oct-2012 03:54 239M 
[ ]tar_600MHz_04.list11-Oct-2012 03:13 114  
[ ]tar_600MHz_04.tar.gz11-Oct-2012 04:44 238M 
[ ]tar_600MHz_05.list11-Oct-2012 03:14 135  
[ ]tar_600MHz_05.tar.gz11-Oct-2012 04:48 368M 
The Metabolomics data that reside at BMRB have been archived in tar files and 
compressed for easier downloads. Due to the large amount of binary data, the 
compression factor is not incredibly large. These are large files.

The data in these files are the same as that contained in the metabolomics/standards 
directory on the BMRB ftp site. The basic directory structure is as follows:


MOLECULE_NAME/
    |
    |
    |____nmr/
    |      |____bmse[num]/ (experimental data)
    |      |         |____1H/          (1H raw data)
    |      |         |____HH_TOCSY/    (HH_TOCSY raw data)
    |      |         |____1H3C/        (13C raw data)
    |      |         |____DEPT_90/     (DEPT_90 raw data)
    |      |         |____DEPT_135/    (DEPT_135 raw data)
    |      |         |____1H_13C_HSQC/ (1H_13C_HSQC raw data)
    |      |         |____index        (text file with experiment conditions)
    |      |         |____bmse[num].str (text file in STAR format with additional
    |      |                         molecular information)
    |      |          
    |      |____bmst[num]/ (theoretical data)
    |      |          |____bmst[num].str
    |      |          |____[name]/
    |      |                |
    |      |                |____[name].mol         
    |      |                |____[name]_opt.pdb     
    |      |                |____[name].go3         
    |      |                |____[name].go3.out     
    |      |                |____[name].go3.shifts  
    |      |
    |      |____bms[etc.]/
    |
    |
    |
    |____lit/
           |____<pubchem_id_1>.sdf
           |____<pubchem_id_1>.png
           |____<pubchem_id_1>.mol
           |____<pubchem_id_2>.sdf
           |____...etc...
           
           

Most of the literature comes from the PubChem Substance list and is named after
the PubChem ID that it came from. For the cases where we could not find all of 
the information we needed in a PubChem file, We obtained it from another source
and named it something else.

Each tar file has a similarly named list that says which molecular data it contains.




HISTORY:

2 May 2006 - Initial collection listed in tar_01.list through tar_10.list
             was posted to the ftp site.
             
18 Oct 2006 - Additional standards, listed in tar_11.list and tar_12.list
             were added
             
7 Jun 2007 - Standards with questionable data and standards with only theoretical
             data were removed from the collection. These were:
              tar_01.list:2_deoxy_D_Ribose
              tar_01.list:3_acetylphenylboronic_acid
              tar_02.list:D_erythrose_4_phosphate
              tar_02.list:D_glucuronolactone
              tar_03.list:D_ribose
              tar_03.list:D_ribose_5_phosphate
              tar_03.list:D_ribulose_1_5_biphosphate
              tar_03.list:D_talose
              tar_04.list:L_erythrose
              tar_05.list:L_threose
              tar_06.list:acetoacetic_Acid
              tar_07.list:dihydroxyacetone_phosphate
              tar_09.list:phenylpyruvic_acid
              tar_09.list:pyruvic_acid
              tar_10.list:xanthurenic_acid