1.1 本规范涵盖了质谱数据表示的标准格式，以及影响仪器数据系统之间质谱数据传输的软件工具。本规范提供了一种协议，旨在使分析仪器的用户受益，并提高实验室生产力和效率。 1.2 本规范中的协议为创建原始数据文件、库频谱文件或结果文件提供了标准格式。此标准格式具有扩展名“.cdf”（源自NetCDF）。文件内容包括典型的标题信息，如仪器、样本和采集方法描述，然后是原始数据、库数据或处理数据。 一旦数据被写入或转换为该协议，支持该协议的软件包就可以读取和处理这些数据。 1.3 本规范不提供与质谱数据同时采集并与质谱数据集成的数据存储，而是在其他检测器上进行存储；例如，连接到质谱仪的液相或气相色谱系统。相关规范 E1947 和指南 E1948 描述二维色谱数据的存储。 1.4 本规范中用于协议的软件传输工具是NetCDF，由Unidata项目开发，由国家科学基金会大气科学司资助。 2. 1.5 本规范中的协议旨在( 1. )在不同供应商的仪表系统之间传输数据( 2. )提供实验室信息管理系统（LIMS）通信( 3. )将数据链接到文档处理应用程序( 4. )将数据链接到电子表格应用程序，以及( 5. )归档分析数据或其组合。该协议是一种一致的、独立于供应商的数据格式，有助于这些活动的分析数据交换。 1.6 协议包括: 1.6.1 本质谱数据规范给出了协议实施中使用的每种通用质谱数据元素的完整定义。 它定义了分析信息类别，这是对分析数据元素进行排序的一种方便方法，使其更易于标准化。 1.6.2 指导 E2078年 关于质谱数据，它给出了如何使用公共域NetCDF数据交换系统实现协议内容的完整细节。本文简要介绍了NetCDF的使用，并描述了一种API（应用程序编程接口），该接口旨在并入应用程序以读取或写入NetCDF文件。它面向的是软件实现者，而不是那些想要理解质谱数据集中数据定义的人。 1.6.3 NetCDF用户指南。

1.1 This specification covers a standardized format for mass spectrometric data representation and a software vehicle to effect the transfer of mass spectrometric data between instrument data systems. This specification provides a protocol designed to benefit users of analytical instruments and increase laboratory productivity and efficiency. 1.2 The protocol in this specification provides a standardized format for the creation of raw data files, library spectrum files or results files. This standard format has the extension “.cdf” (derived from NetCDF). The contents of the file include typical header information like instrument, sample, and acquisition method description, followed by raw, library or processed data. Once data have been written or converted to this protocol, they can be read and processed by software packages that support the protocol. 1.3 This specification does not provide for the storage of data acquired simultaneous to and integrated with the mass spectrometric data, but on other detectors; for example attached to the mass spectrometer's liquid or gas chromatographic system. Related Specification E1947 and Guide E1948 describe the storage of 2-dimensional chromatographic data. 1.4 The software transfer vehicle used for the protocol in this specification is NetCDF, which was developed by the Unidata Program and is funded by the Division of Atmospheric Sciences of the National Science Foundation. 2 1.5 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 document processing applications, ( 4 ) link data to spreadsheet applications, and ( 5 ) archive analytical data, or a combination thereof. The protocol is a consistent, vendor independent data format that facilitates the analytical data interchange for these activities. 1.6 The protocol consists of: 1.6.1 This specification on mass spectrometric data, which gives the full definitions for each one of the generic mass spectrometric data elements used in implementation of the protocol. It defines the analytical information categories, which are a convenient way for sorting analytical data elements to make them easier to standardize. 1.6.2 Guide E2078 on mass spectrometric data, which gives the full details on how to implement the content of the protocol using the public-domain NetCDF data interchange system. It includes a brief introduction to using NetCDF and describes an API (Application Programming Interface) that is intended to be incorporated into application programs to read or write NetCDF files. It is intended for software implementors, not those wanting to understand the definitions of data in a mass spectrometric dataset. 1.6.3 NetCDF Users Guide.