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Gifa V. 4:一套完整的 NMR 数据集处理软件包。

Gifa V. 4: A complete package for NMR data set processing.

机构信息

Centre de Biochimie Structurale, INSERM U414, CNRS UMR 9955, Université Montpellier 1, Faculté de Pharmacie, 15 Avenue Charles Flahault, F-34060, Montpellier, France.

出版信息

J Biomol NMR. 1996 Dec;8(4):445-52. doi: 10.1007/BF00228146.

Abstract

The Gifa program is designed for processing, displaying and analysing 1D, 2D and 3D NMR data sets. It has been constructed in a modular fashion, based on three independent modules: a set of commands that perform all the basic processing operations such as apodisation functions, a complete set of Fourier Transforms, phasing and baseline correction, peak-picking and line fitting, linear prediction and maximum entropy processing; a set of command language primitives that permit the execution of complex macro commands; and a set of graphic commands that permit to build a complete graphic user interface, allowing the user to interact easily with the program. We have tried to create a versatile program that can be easily extended according to the user's requirements and that is adapted to a novice as well as an experienced user. The program runs on any UNIX computer, with or without graphic display, in interactive or batch mode.

摘要

Gifa 程序旨在处理、显示和分析 1D、2D 和 3D NMR 数据集。它是基于三个独立的模块以模块化的方式构建的:一组命令,执行所有基本的处理操作,如去卷积函数、完整的傅里叶变换、相位和基线校正、峰提取和线拟合、线性预测和最大熵处理;一组命令语言原语,允许执行复杂的宏命令;以及一组图形命令,允许构建完整的图形用户界面,使用户能够轻松地与程序交互。我们试图创建一个功能强大的程序,可以根据用户的需求轻松扩展,并且适应新手和有经验的用户。该程序可以在任何具有或不具有图形显示的 UNIX 计算机上以交互或批处理模式运行。

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