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1. 发明授权

US07076383B2 Method of resonance spectroscopy for the analysis of statistical properties of samples 失效
标题翻译：共振光谱法分析样品的统计性质
公开(公告)号：US07076383B2
公开(公告)日：2006-07-11
申请号：US10921108
申请日：2004-08-19
申请人： Hartmut Schäfer , Peter Neidig , Christian Fischer , Manfred Spraul
发明人： Hartmut Schäfer , Peter Neidig , Christian Fischer , Manfred Spraul
IPC分类号： G01R23/16
CPC分类号： G01R33/4625 , Y10T436/24
摘要： The invention refers to a method of resonance spectroscopy for the analysis of statistical properties of samples, comprising the following steps: a) recording of a complex resonance frequency spectrum of each sample by means of phase sensitive quadrature detection; b) numerical differentiation of the recorded complex resonance frequency spectra versus frequency; c) determination of the absolute value of each differentiated complex resonance frequency spectrum (=fingerprint); d) allocation of each fingerprint to a point of a multidimensional point set; and e) performing a pattern analysis of the generated points for characterizing the statistical properties of the samples. The inventive method tolerates unintended variances of measurement in the recorded resonance frequency spectra, in particular caused by phase errors, and allows reliable automated spectral analysis.
摘要翻译：本发明涉及一种用于分析样品的统计性质的共振光谱法，包括以下步骤：a）通过相敏检测记录每个样品的复共振频谱; b）记录的复共振频谱与频率的数值分化; c）确定每个微分复合共振频谱（=指纹）的绝对值; d）将每个指纹分配到多维点集的点; 以及e）对生成的点执行模式分析，以表征样本的统计特性。本发明的方法容忍记录的共振频谱中的非预期的测量方差，特别是由相位误差引起的，并且允许可靠的自动光谱分析。

2. 发明申请

US20050060112A1 Method of resonance spectroscopy for the analysis of statistical properties of samples 失效
标题翻译：共振光谱法分析样品的统计性质
公开(公告)号：US20050060112A1
公开(公告)日：2005-03-17
申请号：US10921108
申请日：2004-08-19
申请人： Hartmut Schafer , Peter Neidig , Christian Fischer , Manfred Spraul
发明人： Hartmut Schafer , Peter Neidig , Christian Fischer , Manfred Spraul
IPC分类号： G01R33/46 , G01R23/16
CPC分类号： G01R33/4625 , Y10T436/24
摘要： The invention refers to a method of resonance spectroscopy for the analysis of statistical properties of samples, comprising the following steps: a) recording of a complex resonance frequency spectrum of each sample by means of phase sensitive quadrature detection; b) numerical differentiation of the recorded complex resonance frequency spectra versus frequency; c) determination of the absolute value of each differentiated complex resonance frequency spectrum (=fingerprint); d) allocation of each fingerprint to a point of a multidimensional point set; and e) performing a pattern analysis of the generated points for characterizing the statistical properties of the samples. The inventive method tolerates unintended variances of measurement in the recorded resonance. frequency spectra, in particular caused by phase errors, and allows reliable automated spectral analysis.
摘要翻译：本发明涉及一种用于分析样品的统计性质的共振光谱法，包括以下步骤：a）通过相敏检测记录每个样品的复共振频谱; b）记录的复共振频谱与频率的数值分化; c）确定每个微分复合共振频谱（=指纹）的绝对值; d）将每个指纹分配到多维点集的点; 以及e）对生成的点进行模式分析，以表征样本的统计特性。本发明的方法允许在记录的共振中的非预期的测量方差。频谱，特别是由相位误差引起，并允许可靠的自动光谱分析。

3. 发明授权

US07064543B2 Method of verifying the synthesis of organic molecules using nuclear magnetic resonance spectroscopy 失效
标题翻译：使用核磁共振光谱法验证有机分子的合成方法
公开(公告)号：US07064543B2
公开(公告)日：2006-06-20
申请号：US10639436
申请日：2003-08-13
申请人： Harald Schroeder , Klaus-Peter Neidig
发明人： Harald Schroeder , Klaus-Peter Neidig
IPC分类号： G01V3/00
CPC分类号： G01R33/4625 , C40B20/08 , C40B40/04 , Y10T436/24
摘要： A NMR method to verify the presence of organic molecular compounds consisting of repetitive occurring individual structures is presented. The method comprises the steps of assigning structure codes to the selected compounds, in accordance with the respective starting compounds used, measuring multi-dimensional NMR spectra from at least some of the compounds, uniquely assigning signal groups of NMR spectra to the individual structures, checking the NMR spectra of the compounds for the presence of all assigned signal groups, and characterizing a particular compound as being TRUE if the check of its particular combination of structures yields the result that the signal groups of structures contained in its total code had been observed. The method permits rapid and accurate verification of the presence of compounds having repetitive structures such as those produced in combinatorial chemistry.
摘要翻译：提出了一种验证由重复发生的单个结构组成的有机分子化合物存在的NMR方法。该方法包括以下步骤：根据所使用的各个起始化合物，将选择的化合物分配结构代码，测量来自至少一些化合物的多维NMR光谱，将NMR光谱的信号组唯一地分配给各个结构，检查用于存在所有分配的信号基团的化合物的NMR光谱，并且如果检查其特定的结构组合的结果产生了已经观察到其总代码中包含的结构的信号组的结果，则将特定化合物表征为真。该方法允许快速和准确地验证具有重复结构的化合物的存在，例如在组合化学中产生的那些。

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