1、Designation:E207700(Reapproved 2010)Standard Specification forAnalytical Data Interchange Protocol for MassSpectrometric Data1This standard is issued under the fixed designation E2077;the number immediately following the designation indicates the year oforiginal adoption or,in the case of revision,t
2、he year of last revision.A number in parentheses indicates the year of last reapproval.Asuperscript epsilon()indicates an editorial change since the last revision or reapproval.1.Scope1.1 This specification covers a standardized format for massspectrometric data representation and a software vehicle
3、 toeffect the transfer of mass spectrometric data between instru-ment data systems.This specification provides a protocoldesigned to benefit users of analytical instruments and increaselaboratory productivity and efficiency.1.2 The protocol in this specification provides a standard-ized format for t
4、he creation of raw data files,library spectrumfiles or results files.This standard format has the extension“.cdf”(derived from NetCDF).The contents of the file includetypical header information like instrument,sample,and acqui-sition method description,followed by raw,library or pro-cessed data.Once
5、 data have been written or converted to thisprotocol,they can be read and processed by software packagesthat support the protocol.1.3 This specification does not provide for the storage ofdata acquired simultaneous to and integrated with the massspectrometric data,but on other detectors;for example
6、at-tached to the mass spectrometers liquid or gas chromato-graphic system.Related Specification E1947 and Guide E1948describe the storage of 2-dimensional chromatographic data.1.4 The software transfer vehicle used for the protocol inthis specification is NetCDF,which was developed by theUnidata Pro
7、gram and is funded by the Division ofAtmosphericSciences of the National Science Foundation.21.5 The protocol in this specification is intended to(1)transfer data between various vendors instrument systems,(2)provide Laboratory Information Management Systems(LIMS)communications,(3)link data to docum
8、ent processingapplications,(4)link data to spreadsheet applications,and(5)archive analytical data,or a combination thereof.The protocolis a consistent,vendor independent data format that facilitatesthe analytical data interchange for these activities.1.6 The protocol consists of:1.6.1 This specifica
9、tion on mass spectrometric data,whichgives the full definitions for each one of the generic massspectrometric data elements used in implementation of theprotocol.It defines the analytical information categories,whichare a convenient way for sorting analytical data elements tomake them easier to stan
10、dardize.1.6.2 Guide E2078 on mass spectrometric data,which givesthe full details on how to implement the content of the protocolusing the public-domain NetCDF data interchange system.Itincludes a brief introduction to using NetCDF and describes anAPI(Application Programming Interface)that is intende
11、d to beincorporated into application programs to read or writeNetCDF files.It is intended for software implementors,notthose wanting to understand the definitions of data in a massspectrometric dataset.1.6.3 NetCDF Users Guide.2.Referenced Documents2.1 ASTM Standards:3E1947 Specification for Analyti
12、cal Data Interchange Proto-col for Chromatographic DataE1948 Guide for Analytical Data Interchange Protocol forChromatographic DataE2078 Guide for Analytical Data Interchange Protocol forMass Spectrometric Data2.2 Other Standards:EIA 2324IEEE 4885IEEE 8025Occupational Safety and Health Administratio
13、n(OSHA)1This specification is under the jurisdiction of ASTM Committee E13 onMolecular Spectroscopy and Separation Science and is the direct responsibility ofSubcommittee E13.15 on Analytical Data.Current edition approved Nov.1,2010.Published November 2010.Originallyapproved in 2000.Last previous ed
14、ition approved in 2005 as E2077 00(2005).DOI:10.1520/E2077-00R10.2For more information on the NetCDF standard,contact Unidata at www.uni-data.ucar.edu.3For referenced ASTM standards,visit the ASTM website,www.astm.org,orcontact ASTM Customer Service at serviceastm.org.For Annual Book of ASTMStandard
15、s volume information,refer to the standards Document Summary page onthe ASTM website.4Available from Electronic Industries Alliance(EIA),2500 Wilson Blvd.,Arlington,VA 22201,http:/www.ecaus.org/eia.5Available from Institute of Electrical and Electronics Engineers,Inc.(IEEE),445 Hoes Ln.,Piscataway,N
16、J 08854,http:/www.ieee.org.Copyright ASTM International,100 Barr Harbor Drive,PO Box C700,West Conshohocken,PA 19428-2959.United States1 Standards-29 CFR part 19106NetCDF Users Guide72.3 ISO Standards:8ISO 639:1988 Code for the representation of names oflanguagesISO 8601:1988 Data elements and interchange formats(Firstedition published 1988-06-15;with Technical Corrigen-dum 1 published 1991-05-01)ISO 9000 Quality Management SystemsISO/IEC 88023.Terminology3.1 Analytical Information ClassesThe Ma