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Interference detection and deconvolution of peak of interest

机译:感兴趣峰的干扰检测和去卷积

摘要

Intensity measurements are generated for one or more compounds from the mixture. Intensity traces are calculated for a range of measured dimensions that are known to contain product ions of known compounds. An intensity value is selected for the intensity trace. For each measurement point over the range, each intensity trace is scaled to have a minimum intensity, a common component profile is calculated as a summary of the minimum intensity of the scaled intensity trace over the range, and the score is common Calculated for component profiles. Optimally minimize the distance between the maximum value of the common component profile and each measurement point, maximize the area of the common component profile, and minimize the area of subtraction of the common component profile from the scaled intensity trace The optimal common component profile having a score compared to the scores of the other profiles is selected.
机译:从混合物中生成一种或多种化合物的强度测量值。针对已知包含已知化合物的产物离子的一系列测量尺寸计算强度迹线。选择强度值作为强度曲线。对于该范围内的每个测量点,将每个强度迹线缩放为具有最小强度,计算共同的组件轮廓,作为该范围内缩放后的强度迹线的最小强度的汇总,并且为组件轮廓共同计算分数。最佳地最小化公共成分分布图的最大值与每个测量点之间的距离,最大化公共成分分布图的面积,并最小化从缩放强度迹线减去公共成分分布图的面积。选择与其他配置文件的分数相比的分数。

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