Source Details

General Information relating to NMRShiftDB, and to the latest data release from this source in UniChem...

Parameter No. Parameter Value Parameter Description Parameter Scope
Parameter No. Parameter Value Parameter Description Parameter Scope
1 src_id 24 - General Info
2 name nmrshiftdb2 Short name for source in UniChem General Info
3 Full name NMRShiftDB Full name in UniChem General Info
4 Label name NMRShiftDB name suitable for use as a Label in interface pages General Info
5 Source Created 01-MAY-14 Date when source was created in UniChem General Info
6 base URL available? 1 Does this source provide src_compound_id specific pages (1=yes, 0=No) General Info
7 base URL http://nmrshiftdb.org/molecule/ If src_compound_id-specific pages are available, prepend this string to src_compound_id to create direct hyperlink to page in source General Info
8 Home page http://nmrshiftdb.nmr.uni-koeln.de/portal/media-type/html/user/anon/page/default.psml/js_pane/P-Home The home page for the source General Info
9 Description An NMR database (web database) for organic structures and their nuclear magnetic resonance (nmr) spectra. It allows for spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties. Last not least, it features peer-reviewed submission of datasets by its users. A description of the source, often taken from the home page. General Info
10 Process of Data Acquisition Standard InChI and Keys available for download at http://nmrshiftdb.nmr.uni-koeln.de/nmrshiftdb2unichem.txt A description of how the data is obtained from the source. General Info
11 Number or Date? date Sources may indicate the presence of updated data either with a release number, or simply by a date. General Info
12 aux_for_url 0 Flag to indicate whether this source requires auxiliary data to create hyperlinks to compound-specific pages in the source. 1=Yes, requires auxiliary data, 0=No. See FAQ for more information. General Info
13 keys_only 0 Flag to indicate whether InChIKeys only are provided by this source (no InChIs). 1=Yes, Only InChIKeys used. 0=No. See FAQ for more information. General Info
14 private 0 Flag to indicate whether this source is only available in private instances of UniChem. 1=Yes, a private source, 0=No. See FAQ for more information. General Info
15 Release created 08-MAY-18 The date when the latest release was loaded. Latest Release Info
16 Number of records loaded without comments 43438 The number of records (ie:'Assignments') loaded from the source when this source was last updated, without comments. This number does not necessarily reflect the total number of records in UniChem from a source, as some larger sources are loaded incrementally. Go to the Structures by Source page for the numbers of structures from each source. Latest Release Info
17 Number of records loaded with comments 0 Some records are loaded with a comment See 'Rules for Loading' page for further information. Latest Release Info
18 Number of records skipped 1 Some data is not loaded into UniChem, for various reasons (eg: structures may be too large) ... See ' Rules for Loading' page for further information. Latest Release Info
19 src release date 06-MAY-18 If parameter 11 is 'date', then date on which file was downloaded from source, or last modification date of source file. Latest Release Info
20 src release number If parameter 11 is 'number', then Release number of latest data set from the source. Latest Release Info


** A discrepancy between these two numbers indicates that the current data set contains either multiple ids mapping to the same structure, or single ids mapping to multiple structures, or a combination of these. This should not be considered unusual, especially if the source does not use standard_inchi as the structure normalizer.

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