期刊文献+

NMR的JCAMP-DX 6.00及其Java实现

JCAMP-DX 6.00 for NMR and Its Implementation in Java
下载PDF
导出
摘要 JCAMP-DX是一种谱学数据交换的国际标准.JCAMP-DX 5.00已成功应用于NMR领域,但JCAMP-DX 6.00仍处于征求意见状态.本文主要讨论了NMR的JCAMP-DX 6.00需要改进的部分内容,提出了NMR的JCAMP-DX6.00的软件实现方案,并在Windows平台上用Java JDK 1.6对其进行了实现.实现的模块将应用于作者自己开发的NMR专用软件wxNMR中. JCAMP-DX is an international standard for spectral data exchange. JCAMP-DX 5.00 has been successfully used in the field of NMR, but JCAMP-DX 6.00 draft is still in the state for comments. Some important recommendations concerning JCAMP-DX 6.00 for NMR were discussed in this paper. A scheme to realize.JCAMP-DX 6.00 for NMR was presented and implemented in Java JDK 1.6 on Windows. The module will be applied to the NMR software wxNMR developed in our proiect.
出处 《厦门大学学报(自然科学版)》 CAS CSCD 北大核心 2009年第2期174-179,共6页 Journal of Xiamen University:Natural Science
基金 国家科技支撑计划(2006BAK03A22)资助
关键词 JCAMP—DX 核磁共振 数据交换 数据格式 JAVA JCAMP-DX NMR data exchange data format java
  • 相关文献

参考文献14

  • 1IUPAC. Draft JCAMP-DX protocols[OE/OL]. [2008-09- 10]. http://www. jcamp-dx. org.
  • 2McDonald R S, Wilks Jr P A. JCAMP-DX: a standard form for exchange of infrared spectra in computer readable form[J]. Appl Speerose, 1988,42(1): 151 -- 162.
  • 3Gasteiger J, Hendriks B M P, Hoever P, et al. JCAMP- CS:a standard exchange format for chemical structure information in computer-readable form[J ]. Appl Spectrosc, 1991,45(1) :4-- 11.
  • 4Davies A N,Lampen P. JCAMP-DX for NMR[J]. Appl Spectrose, 1993,47(8) : 1093 -- 1099.
  • 5Lampen P,Lambert J ,Lancashiqe R J ,et al. An extension to the JCAMP-DX standard file format, JCAMP-DX V 5.01[J]. Appl Spectrosc, 1999,71(8) : 1549-- 1556.
  • 6LampenP, Hillig H, Davis A N, et al. JCAMP-DX for mass spectrometry [J ]. Appl Spectrosc, 1994, 48(12): 1545--1552.
  • 7Baumbach J I, Davies A N, Lampen P, et al. JCAMP-DX : a standard format for the exchange of ion mobility spectrometry[J]. Pure Appl Chem, 2001, 73 ( 11): 1765 -- 1782.
  • 8Cammack R, Fann Y, Lancashire R J, et al. JCAMP-DX for electron magnetic resonance (EMR) (IUPAC recommendations 2006)[J]. Pure Appl Chem, 2006,78 (3) : 613 --631.
  • 9Jim D,Peter M R,Alan P T,et al. SPECTRa:the deposition and validation of primary chemistry research data in digital repositories[J ]. J Chem Inf Model, 2008,48 : 1571 --1581.
  • 10Davies A, Lambert J, Lancashire R J, et al. Guidelines for the representation of pulse sequences for solution-state nuclear magnetic resonance spectrometry[J]. Pure Appl Chem,2001,71 (11) : 1749-- 1764.

二级参考文献6

  • 1[EB/OL]. http://www.jcamp.org.
  • 2McDonald R S, Wilks Jr P A. JCAMP-DX: A Standard Form for Exchange of Infrared Spectra in Computer Readable Form[J]. Appl Spectrosc, 1988, 42(1): 151-162.
  • 3Gasteiger J, Hendriks B M P, Hoever P, et al. JCAMP-CS: A standard exchange format for chemical structure information in computer-readable form[J]. Appl Spectrosc, 1991, 45(1): 4-11.
  • 4Davies A N, Lampen P. JCAMP-DX for NMR[J]. Appl Spectrosc, 1993, 47(8): 1 093-1 099.
  • 5Lampen P, Hillig H, Davis A N, et al. JCAMP-DX for Mass Spectrometry[J]. Appl Spectrosc, 1994, 48(12): 1 545-1 552.
  • 6Baumbach J I, Davies A N, Lampen P, et al. JCAMP-DX. A Standard Format for the Exchange of Ion Mobility Spectrometry[J]. Pure Appl Chem, 2001, 73(11): 1 765-1 782.

相关作者

内容加载中请稍等...

相关机构

内容加载中请稍等...

相关主题

内容加载中请稍等...

浏览历史

内容加载中请稍等...
;
使用帮助 返回顶部