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一种用于质谱仪响应校正的无模型方法。

A model-free method for mass spectrometer response correction.

作者信息

Shykoff B E, Swanson H T

机构信息

Department of Physiology, State University of New York, Buffalo 14214.

出版信息

J Appl Physiol (1985). 1987 Nov;63(5):2148-53. doi: 10.1152/jappl.1987.63.5.2148.

DOI:10.1152/jappl.1987.63.5.2148
PMID:3693244
Abstract

A new method for correction of mass spectrometer output signals is described. Response-time distortion is reduced independently of any model of mass spectrometer behavior. The delay of the system is found first from the cross-correlation function of a step change and its response. A two-sided time-domain digital correction filter (deconvolution filter) is generated next from the same step response data using a regression procedure. Other data are corrected using the filter and delay. The mean squared error between a step response and a step is reduced considerably more after the use of a deconvolution filter than after the application of a second-order model correction. O2 consumption and CO2 production values calculated from data corrupted by a simulated dynamic process return to near the uncorrupted values after correction. Although a clean step response or the ensemble average of several responses contaminated with noise is needed for the generation of the filter, random noise of magnitude less than or equal to 0.5% added to the response to be corrected does not impair the correction severely.

摘要

本文描述了一种校正质谱仪输出信号的新方法。响应时间失真的减少与质谱仪行为的任何模型无关。首先从阶跃变化及其响应的互相关函数中找到系统的延迟。接下来,使用回归程序从相同的阶跃响应数据生成双边时域数字校正滤波器(反卷积滤波器)。使用该滤波器和延迟对其他数据进行校正。与应用二阶模型校正相比,使用反卷积滤波器后,阶跃响应与阶跃之间的均方误差大幅降低。从受模拟动态过程影响的数据计算得到的氧气消耗和二氧化碳产生值在校正后恢复到接近未受影响的值。虽然生成滤波器需要一个干净的阶跃响应或几个受噪声污染的响应的总体平均值,但添加到待校正响应中的幅度小于或等于0.5%的随机噪声不会严重损害校正效果。

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