ASTM E2078-2000(2005)
质谱数据的分析数据互换协议标准导则

Standard Guide for Analytical Data Interchange Protocol for Mass Spectrometric Data

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标准号

ASTM E2078-2000(2005)

发布日期

2000年

实施日期

废止日期

无

中国标准分类号

A42

国际标准分类号

35.240.99 (IT applications in other fields)

发布单位

US-ASTM

适用范围

General Coding Guidelines8212;The NetCDF libraries are supplied to developers as source code. End users receive the libraries in compiled binary form as part of a vendorrsquo;application.

7.1.1 Developers setting out to write a program to convert their data files to the Mass Spectrometric Data Protocol should consider using the NetCDF utilities ncgen and ncdump. After developers create the NetCDF file they should use the ncdump program to generate the ASCII representation of the data file, and examine it to ensure the data are being correctly put into the file.

Make Files for NetCDF Libraries and Utilities8212;In general the compilation is straightforward. The make files were modified after they were received from the Unidata Corporation, because they did not compile the first time on PCs. The changes needed to get the Unidata distribution to run on DOS are (1) rename the file MAKEFILE to UNIX.MK, and (2) rename MSOFT.MK to MAKEFILE, and then run NMAKE. The default switches in the Unidata distribution use the switches for the floating point coprocessor and Microsoft Windows options.

7.2.1 The protocol kit contains some complete makefile examples for Microsoft C V6.0 running on DOS. The Microsoft C V6.0 compiler manual should be consulted for the exact meaning of the compiler and linker options.

7.2.2 The VMS and SunOS compilation instructions are in directories for those operating systems.

NetCDF Library Build Order8212;The NetCDF libraries must be built in a specific order. The correct order to build the NetCDF directories is:

UTIL

XDR

SRC

NCDUMP

NCGEN

NCTEST

7.3.1 The UTIL and XDR makefiles work as distributed using NMAKE with Microsoft C V6.0.

1.1 This guide covers the implementation of the Mass Spectrometric Data Protocol in analytical software applications. Implementation of this protocol requires:

1.1.1 Specification E 2077, which contains the full set of data definitions. The mass spectrometric data protocol is not based upon any specific implementation; it is designed to be independent of any particular implementation so that implementations can change as technology evolves. The protocol is implemented in categories to speed its acceptance through actual use.

1.1.2 Specification E 2077 contains a full description of the contents of the data communications protocol, including the analytical information categories with data elements and their attributes for most aspects of mass spectrometric tests.

1.2 The analytical information categories are a practical convenience for breaking down the standardization process into smaller, more manageable pieces. It is easier for developers to build consensus and produce working systems based on smaller information sets, without the burden and complexity of the hundreds of data elements contained in all the categories. The categories also assist vendors and end users in using the guide in their computing environments.

1.3 The network common data format (NetCDF) data interchange system is the container used to communicate data between applications in a way that is independent of both computer architectures and end-user applications. In essence, it is a special type of application designed for data interchange.

1.4 The common data lang......

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