首页> 外国专利> Process for verifying the correct spatial structure of molecules using multi-dimensional NMR spectroscopy comprises establishing a standardized chemical composition of a reference and test substance, and further processing

Process for verifying the correct spatial structure of molecules using multi-dimensional NMR spectroscopy comprises establishing a standardized chemical composition of a reference and test substance, and further processing

机译:使用多维NMR光谱法验证分子的正确空间结构的方法包括建立参考物质和测试物质的标准化化学成分,然后进行进一步处理

摘要

Process for verifying the correct spatial structure of molecules using multi-dimensional NMR spectroscopy comprises establishing a standardized chemical composition of a reference and test substance and establishing standardized measuring parameters for a reference and a test spectrum, automatically verifying the selected chemical composition of the reference substance, automatically verifying the measuring parameters when the reference spectrum is received, automatically evaluating and storing data obtained from the reference spectrum, automatically verifying the chemical composition of the test substance, automatically verifying the measuring parameter when the test spectrum is received, automatically evaluating and storing data obtained from the test spectrum, automatically comparing the test spectrum with the reference spectrum, automatically acquiring the each amount of the test substance whose spatial structure agrees with the reference substance, and repeating the process from the step of automatically verifying the chemical composition of the test substance. Independent claims are also included for the following: (1) Computer for carrying out the process; (2) Digital storage medium having electronically readable control signals which interact with the computer, and (3) Computer program for implementing in the computer.
机译:使用多维NMR光谱法验证分子的正确空间结构的方法包括:建立参考物质和测试物质的标准化化学成分,以及建立参考物质和测试光谱的标准化测量参数,自动验证参考物质的所选化学成分,在收到参考光谱时自动验证测量参数,自动评估和存储从参考光谱中获得的数据,自动验证测试物质的化学成分,在收到测试光谱时自动验证测量参数,自动评估和存储从测试光谱中获得的数据,自动将测试光谱与参考光谱进行比较,自动获取空间结构与参考物质相符的每种测试物质,并从t开始重复该过程自动验证被测物质化学成分的步骤。还包括以下方面的独立权利要求:(1)用于执行该过程的计算机; (2)具有与计算机交互作用的电子可读控制信号的数字存储介质,以及(3)用于在计算机中实现的计算机程序。

著录项

  • 公开/公告号DE10251373A1

    专利类型

  • 公开/公告日2004-01-15

    原文格式PDF

  • 申请/专利权人 KALBITZER HANS-ROBERT;

    申请/专利号DE2002151373

  • 发明设计人 KALBITZER HANS-ROBERT;

    申请日2002-11-05

  • 分类号G01R33/46;G01N24/08;

  • 国家 DE

  • 入库时间 2022-08-21 22:43:44

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