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1.发明授权公开(公告)号：US08735808B2
公开(公告)日：2014-05-27
申请号：US13576344
申请日：2011-02-14
申请人： Richard Denny , Keith Richardson , Martin Raymond Green , Steven Derek Pringle , Anthony James Gilbert , John Skilling , Jason Lee Wildgoose
发明人： Richard Denny , Keith Richardson , Martin Raymond Green , Steven Derek Pringle , Anthony James Gilbert , John Skilling , Jason Lee Wildgoose
CPC分类号： H01J49/0036 , H01J49/40
摘要： A method of mass spectrometry is disclosed wherein a signal output from an ion detector is digitized by an Analogue to Digital Converter and is then deconvoluted to determine one or more ion arrival times and one more ion arrival intensities. The process of deconvoluting the ion signal involves determining a point spread function characteristic of an ion arriving at and being detected by the ion detector. A distribution of ion arrival times which produces a best fit to the digitised signal is then determined given that each ion arrival is assumed to produce a response given by the point spread function. A plurality of ion arrival times are then combined to produce a composite ion arrival time-intensity spectrum.
摘要翻译： 公开了一种质谱法，其中从离子检测器输出的信号被模拟数字转换器数字化，然后进行解卷积，以确定一个或多个离子到达时间和一个离子到达强度。 去卷积离子信号的过程涉及确定到达并被离子检测器检测的离子的点扩散函数特征。 因此，假设每个离子到达产生由点扩散函数给出的响应，则确定产生与数字化信号最佳拟合的离子到达时间的分布。 然后将多个离子到达时间组合以产生复合离子到达时间强度谱。
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2.发明申请公开(公告)号：US20130168546A1
公开(公告)日：2013-07-04
申请号：US13576344
申请日：2011-02-14
申请人： Richard Denny , Keith Richardson , Martin Raymond Green , Steven Derek Pringle , Anthony James Gilbert , John Skilling , Jason Lee Wildgoose
发明人： Richard Denny , Keith Richardson , Martin Raymond Green , Steven Derek Pringle , Anthony James Gilbert , John Skilling , Jason Lee Wildgoose
CPC分类号： H01J49/0036 , H01J49/40
摘要： A method of mass spectrometry is disclosed wherein a signal output from an ion detector is digitised by an Analogue to Digital Converter and is then deconvoluted to determine one or more ion arrival times and one more ion arrival intensities. The process of deconvoluting the ion signal involves determining a point spread function characteristic of an ion arriving at and being detected by the ion detector. A distribution of ion arrival times which produces a best fit to the digitised signal is then determined given that each ion arrival is assumed to produce a response given by the point spread function. A plurality of ion arrival times are then combined to produce a composite ion arrival time-intensity spectrum.
摘要翻译： 公开了一种质谱法，其中从离子检测器输出的信号被模拟数字转换器数字化，然后进行解卷积，以确定一个或多个离子到达时间和一个离子到达强度。 去卷积离子信号的过程涉及确定到达并被离子检测器检测的离子的点扩散函数特征。 因此，假设每个离子到达产生由点扩散函数给出的响应，则确定产生与数字化信号最佳拟合的离子到达时间的分布。 然后将多个离子到达时间组合以产生复合离子到达时间强度谱。
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公开(公告)号：US20140005970A1
公开(公告)日：2014-01-02
申请号：US13977863
申请日：2012-01-09
IPC分类号： H01J49/00
CPC分类号： H01J49/0036
摘要： A method of improving the fidelity of m/z dependent and/or intensity measurements for a species of interest in an analyte to correct for hardware limitations within a mass spectrometer, which method comprises the steps of acquiring raw data produced by a mass spectrometer, identifying a region within the raw data that relates to the species of interest, forming a mathematical model to calculate the joint probability distribution of the parameters effecting the m/z dependent and/or intensity measurements, analytically obtaining samples from the joint probability distribution to produce corrected or refined m/z dependent and/or intensity measurements with associated uncertainties.
摘要翻译： 一种提高分析物感兴趣的物种的m / z依赖和/或强度测量的保真度以校正质谱仪内的硬件限制的方法，该方法包括以下步骤：获取由质谱仪产生的原始数据，识别 原始数据中与感兴趣物种相关的区域，形成数学模型以计算影响m / z依赖和/或强度测量的参数的联合概率分布，从联合概率分布中分析获取样本以产生校正的 或精确的m / z依赖和/或强度测量与相关的不确定性。
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公开(公告)号：US20130317756A1
公开(公告)日：2013-11-28
申请号：US13977861
申请日：2012-01-09
IPC分类号： H01J49/00
CPC分类号： H01J49/0036
摘要： A method of improving the fidelity of m/z dependent measurements for a species of interest in an analyte in a mass spectrometer, which method comprises the steps of acquiring raw data produced in a mass spectrometer, identifying a region within the raw data that relates to the species of interest, forming a mathematical model to calculate the joint probability distribution of the parameters effecting the m/z dependent measurements, analytically obtaining samples from the joint probability distribution to produce corrected or refined m/z dependent measurements with associated uncertainties.
摘要翻译： 一种提高质谱仪中分析物中感兴趣的物种的m / z依赖性测量的保真度的方法，该方法包括以下步骤：获取在质谱仪中产生的原始数据，识别与原始数据相关的原始数据中的区域 形成感兴趣的物种，形成一个数学模型，以计算影响m / z依赖性测量的参数的联合概率分布，从联合概率分布中分析获得样本，以产生具有相关不确定性的校正或精确的m / z相关度量。
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公开(公告)号：US20080076186A1
公开(公告)日：2008-03-27
申请号：US11568408
申请日：2005-05-03
申请人： Richard Denny , Keith Richardson , John Skilling
发明人： Richard Denny , Keith Richardson , John Skilling
CPC分类号： H01J49/0027 , G01N30/7233 , Y10T436/11 , Y10T436/24 , Y10T436/25
摘要： A mass spectrometer and method of mass spectrometry are disclosed wherein two separate samples are mass analysed and then the relative intensity, concentration or expression level of one or more components, molecules or analytes in a first sample is quantitated relative to the intensity, concentration or expression level of one or more components, molecules or analytes in a second sample. The relative quantitation is performed probabilistically without the need to resort to using internal calibrants.
摘要翻译： 公开了质谱仪和质谱法，其中质量分析两个单独的样品，然后相对于强度，浓度或表达量化第一样品中一种或多种组分，分子或分析物的相对强度，浓度或表达水平 水平的第二个样品中的一种或多种组分，分子或分析物。 概率地执行相对定量，而无需诉诸使用内部校准。
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公开(公告)号：US08012764B2
公开(公告)日：2011-09-06
申请号：US11568408
申请日：2005-05-03
申请人： Richard Denny , Keith Richardson , John Skilling
发明人： Richard Denny , Keith Richardson , John Skilling
CPC分类号： H01J49/0027 , G01N30/7233 , Y10T436/11 , Y10T436/24 , Y10T436/25
摘要： A mass spectrometer and method of mass spectrometry are disclosed wherein two separate samples are mass analysed and then the relative intensity, concentration or expression level of one or more components, molecules or analytes in a first sample is quantitated relative to the intensity, concentration or expression level of one or more components, molecules or analytes in a second sample. The relative quantitation is performed probabilistically without the need to resort to using internal calibrants.
摘要翻译： 公开了质谱仪和质谱法，其中质量分析两个单独的样品，然后相对于强度，浓度或表达量化第一样品中一种或多种组分，分子或分析物的相对强度，浓度或表达水平 水平的第二个样品中的一种或多种组分，分子或分析物。 概率地执行相对定量，而无需诉诸使用内部校准。
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公开(公告)号：US20050230611A1
公开(公告)日：2005-10-20
申请号：US11018086
申请日：2004-12-21
申请人： Richard Denny , Keith Richardson , John Skilling
发明人： Richard Denny , Keith Richardson , John Skilling
IPC分类号： H01J49/00
CPC分类号： H01J49/0036
摘要： A mass spectrometer and a method of mass spectrometry are disclosed wherein periodic background noise is effectively filtered out from the mass spectral data. An overall mass window is superimposed upon the mass spectral data. The overall mass window preferably comprises 21 nominal mass windows each preferably having a width of 1.0005 amu. Each nominal mass window preferably comprises 20 channels. An intensity distribution relating to all the first channels of the 21 nominal mass windows is determined. An intensity quantile is determined from the intensity distribution. The intensity quantile is taken to represent the background intensity in the first channel of the central nominal mass window. This process is repeated for the other channels so that the background intensity across the whole of the central nominal mass window is estimated and then subtracted from the raw mass spectral data comprising the central nominal mass window. The overall mass window is then preferably advanced approximately 1 amu and the process is repeated multiple times.
摘要翻译： 公开了质谱仪和质谱法，其中周期性背景噪声被有效地从质谱数据滤出。 总质量窗口叠加在质谱数据上。 整个质量窗口优选地包括21个标称质量窗口，每个窗口优选地具有1.0005amu的宽度。 每个标称质量窗口优选地包括20个通道。 确定与21个标称质量窗口的所有第一通道相关的强度分布。 强度分位数由强度分布确定。 采用强度分位数来表示中心标称质量窗口的第一个通道中的背景强度。 对其他通道重复该过程，使得估计整个中心标称质量窗口的背景强度，然后从包括中心标称质量窗口的原始质谱数据中减去该背景强度。 然后，整个质量窗口优选地进行大约1amu，并且该过程重复多次。
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公开(公告)号：US07365309B2
公开(公告)日：2008-04-29
申请号：US11018086
申请日：2004-12-21
申请人： Richard Denny , Keith Richardson , John Skilling
发明人： Richard Denny , Keith Richardson , John Skilling
IPC分类号： H01J49/00
CPC分类号： H01J49/0036
摘要： A mass spectrometer and a method of mass spectrometry are disclosed wherein periodic background noise is effectively filtered out from the mass spectral data. An overall mass window is superimposed upon the mass spectral data. The overall mass window preferably comprises 21 nominal mass windows each preferably having a width of 1.0005 amu. Each nominal mass window preferably comprises 20 channels. An intensity distribution relating to all the first channels of the 21 nominal mass windows is determined. An intensity quantile is determined from the intensity distribution. The intensity quantile is taken to represent the background intensity in the first channel of the central nominal mass window. This process is repeated for the other channels so that the background intensity across the whole of the central nominal mass window is estimated and then subtracted from the raw mass spectral data comprising the central nominal mass window. The overall mass window is then preferably advanced approximately 1 amu and the process is repeated multiple times.
摘要翻译： 公开了质谱仪和质谱法，其中周期性背景噪声被有效地从质谱数据滤出。 总质量窗口叠加在质谱数据上。 整个质量窗口优选地包括21个标称质量窗口，每个窗口优选地具有1.0005amu的宽度。 每个标称质量窗口优选地包括20个通道。 确定与21个标称质量窗口的所有第一通道相关的强度分布。 强度分位数由强度分布确定。 采用强度分位数来表示中心标称质量窗口的第一个通道中的背景强度。 对其他通道重复该过程，使得估计整个中心标称质量窗口的背景强度，然后从包括中心标称质量窗口的原始质谱数据中减去该背景强度。 然后，整个质量窗口优选地进行大约1amu，并且该过程重复多次。
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公开(公告)号：US20140005954A1
公开(公告)日：2014-01-02
申请号：US13977865
申请日：2012-01-06
申请人： Keith Richardson , Richard Denny
发明人： Keith Richardson , Richard Denny
IPC分类号： H01J49/00
CPC分类号： H01J49/0036
摘要： A method of processing multidimensional data acquired from analytical equipment, which method comprises the steps of providing raw multidimensional data that includes mass spectrometric analytical data obtained from a sample, conducting a first processing step of identifying regions of interest within the raw multidimensional data and conducting a second processing step of refining the raw multidimensional data associated with the one or more regions of interest using peak detection of the mass spectrometric analytical data, wherein the first processing step is conducted using a first processing means and/or a first software program and the second processing step is conducted using a second processing means and/or a second software program, whereby the first and second processing steps are capable of independent implementation.
摘要翻译： 一种处理从分析设备获得的多维数据的方法，该方法包括提供原始多维数据的步骤，该原始多维数据包括从样本获得的质谱分析数据，进行识别原始多维数据内的感兴趣区域的第一处理步骤， 使用所述质谱分析数据的峰值检测来精炼与所述一个或多个感兴趣区域相关联的原始多维数据的第二处理步骤，其中所述第一处理步骤使用第一处理装置和/或第一软件程序进行，所述第二处理步骤 使用第二处理装置和/或第二软件程序进行处理步骤，由此第一和第二处理步骤能够独立实现。
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10.发明授权公开(公告)号：US08515685B2
公开(公告)日：2013-08-20
申请号：US11568437
申请日：2005-05-03
申请人： Richard Denny , Keith Richardson
发明人： Richard Denny , Keith Richardson
IPC分类号： G01N33/50
CPC分类号： H01J49/0036 , G01N30/8682 , G06F19/24
摘要： A mass spectrometer and a method of spectrometry are disclosed wherein liquid chromatography mass spectral data are probabilistically clustered on the basis of mass to charge ratio and retention time.
摘要翻译： 公开了一种质谱仪和光谱测定方法，其中液相色谱质谱数据基于质荷比和保留时间概率聚类。
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