核磁共振仪器控制软件——谱图数据处理软件包开发毕业论文.doc

核磁共振仪器控制软件 ——谱图数据处理软件包开发 [摘要] 核磁共振仪器控制软件是对从超导核磁共振谱仪采集到的实验参数、波谱数据进行综合分析处理的软件。国外Bruker系列，Varian系列谱仪中都有提供配套的分析软件。为了在核磁共振研究方面赶上世界先进水平，填补我国核磁共振谱仪的空白，国家“985计划”将其作为一项重要课题，决定研制拥有自主知识产权的核磁共振谱仪及其处理分析软件。 本文参考原Varian系列软件系统，针对所负责的数据处理模块，实现了一维谱图数据处理软件包的开发。该软件包通过读取核磁共振谱仪输出的fid格式数据文件，实现核磁共振实验中的基本算法，如傅立叶变换、相位校正、基线调整、寻峰、积分等。谱图显示不仅实现了数据的时时变化显示功能，而且可以直接对图形进行操作，如放大、缩小、拖放、手动寻峰、手动相位校正等。 核磁共振仪器控制软件包采用Java语言编写，在开源社区Eclipse 3.2 下进行跨平台、插件式开发。运用RCP，SWT-Designer的界面设计思想，不仅使得Java下的界面开发不再是一个技术瓶颈，而且美观大方，极具人性化。运用GMF、EMF框架设计理念，让数据处理与图谱显示达到最完美的结合。 [关键词] 核磁共振 谱图数据处理 傅立叶变化 Eclipse3.2 SWT/JFace Instrument Controlled Software of NMR ——Development of the Spectra Data Processing Software [Abstract] Instrument controlled software of NMR is a comprehensive analysis software that analyzes the experimental parameters and spectral data from the superconducting NMR spectrometer acquisition. Foreign Bruker series and Varian spectrometer series have supporting software. In order to catch up with the world’s advanced level of NMR studies and fill in the blank of Chinese NMR spectrometer, the national “985 Plan” regarded it as an important issue, decided to develop its own intellectual property NMR spectrometer and its processing software. In response to the charge of data processing, I reference to the original Varian system, read through the NMR spectrometer control output .fid format data files, achieve the basic algorithm of NMR experiments, such as Fourier transform, phase correction, baseline adjustment, searching peak ,Integral. Spectra indicated that some of the data processing to achieve the constantly changing display function can be carried out directly on the graphics operations, such as amplification, zoom out, drag and drop, manual searching peak, manual correction phase. Instrument controlled software of NMR is using the Java programming language in the open source community under Eclipse 3.2 cross-platform plug-in development. As using the RC