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WxSPROM-an Efficient Software for NMR/MRI Simulations under Inter-molecular Multiple Quantum Coherences

Abstract

WXSPrOM是一款用于模拟核磁共振谱和磁共振成像的软件。结合积算符矩阵和非线性blOCH方程,该软件可以同时高效模拟经典理论和量子效应下的标量耦合、远程偶极耦合、扩散、化学位移、辐射阻尼、横向弛豫以及纵向弛豫等效应。这一款软件支持在模拟中进行基于图形界面的复杂脉冲序列的设计,并在模拟中支持各种自定义形状的脉冲、梯度。它采用JAVA语言编码,基于EClIPSE rCP插件模式开发,提供良好的用户体验和极强的可扩展性。WXSPrOM还可以与小组开发的WXnMr磁共振仪控制软件进行无缝连接,极大的拓展了后者的功能。WxSPROM can be used to simulate nuclear magnetic resonance(NMR) spectra and magnetic resonance imaging(MRI).Com bining the product operator matrix with the non-linear Bloch equations,the software can be used to simulate the classical and quantum ef fects such as,scalar coupling,long-rang dipolar coupling,diffusion,chemical shift,radiation damping,transverse relaxation and longitudinal relaxation efficiently.WxSPROM supports the design of complex pulse sequence based on GUI and a variety of custom shapes for pulse/ gradient in the simulation.The software,written in Java,based on Eclipse RCP plug-in frame,provides a good user experience and has strong scalability.WxSPROM can be seamlessly connected with WxNMR,which developed for magnetic resonance instrument by our team,greatly expanded the functions of latter

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