Documenting VAMDC standards

License

All the documents and tutorials present in this repository are protected by the Creative Commons license CC BY-ND 4.0:

For the license detail, please visit: http://creativecommons.org/licenses/by-nd/4.0/

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• NoDerivatives - If you remix, transform, or build upon the material, you may not distribute the modified material.

VAMDC documentation and software versioning policy

• Guidelines and Procedures for VAMDC Document Standards, Schemas and Software Management [v 11.07] [r 12.07]

Data access protocol, query language and dictionaries

• Data access protocol [v 12.07] [r 12.07]
• Change log for data-access protocol
• Query language [v 12.07] [r 12.07]
• Change log for query language
• Dictionaries [v 12.07] [r 12.07]

Data model

VAMDC e-science infrastructure uses a data model that is serialized in a XML schema called VAMDC-XSAMS schema. The links point to the latest release of the VAMDC-XSAMS schema (though the previous releases are left below for history)

• The VAMDC-XSAMS schema files can be downloaded below v1.0
• The VAMDC-XSAMS general reference guide can be viewed and can be downloaded
• The VAMDC-XSAMS change log to the reference guide is included in the PDF reference guide and is available on line here
• The automatically generated documentation of the schema can be viewed or downloaded
• The description of quantum numbers for molecules are done using different sets of quantum numbers packaged in “cases” related to the the type of molecule. The following documentation is compulsory in order to implement molecular databases or in order to understand the content of XSAMS files for molecules. This documentation called “case-by-case” schema documentation can be viewed here

Registry

• Registry user’s guide [v 12.07] [r 12.07]
• Change log for registry guide

Units

• Unit Conversion Table [v 11.12] [r 12.07]

InChI Generation

• InChI/InChIKey [v 11.12] [r 12.07]
• PubChem a search engine for chemistry is available here here (helpful to find InChI/InChiKey)
• Another website to get InChI/InChIKey is available here

XSAMS Processor service

• Data consumer protocol [v 12.07] [r 12.07]

Downloads

Below are links to documents available for download.

document	release 11.05	release 11.12	release 12.07
data access protocol	v11.05	v11.12	v12.07
XSAMS Processor protocol		v11.12	v12.07
query language	v11.05	v11.12	v12.07
dictionary	v11.05	v11.12	v12.07
VAMDC-XSAMS schema	v0.2	v0.3	v1.0
VAMDC-XSAMS schema doc	v0.2	v0.3	v1.0
VAMDC-XSAMS reference guide	v0.2	v11.12	v12.07
VAMDC-XSAMS change log	v0.2	included in the XSAMS ref. guide
Case-By-Case schema doc	v0.2	view v.0.3	view v.1.0
registry guide	v11.05	v11.12	v12.07
Species identification (InChI)		v11.12

Changelog

• 2011-05-27: First release of standards. Version 11.05

• 2011-12-21: Second release of standards. Version 11.12

• 2012-08-06: Third(final) release of standards. Version 12.07

  • Updates in VAMDC-TAP
  • dictionaries updates
  • VAMDC-XSAMS 1.0
  • Final XSAMS Processor service protocol