离子迁移谱图的谱峰识别系统的设计与实现-计算机技术专业毕业论文.docxVIP

离子迁移谱图的谱峰识别系统的设计与实现The 离子迁移谱图的谱峰识别系统的设计与实现 The Design and Implementation of Spectral Peak Identification For Ion Mobility Spectrometry Ab stract In analytical chemistry field，we often need to analyze and process the obtained signal， including signal mass spectrometry，spectroscopy or gas chromatogram．The signal includes the starting point ofthe peak，end point ofthe peak，top ofthe peak，peak height，peak area， and other characteristics of these peaks：These point may confirm the various physical and chemical information of the tested substance and signal， such as physical nature and concentration， SO the accuracy of peak detection means the veracity of tested material and signal． The Ion Mobility Spectrometry can be used for the fast qualitative and quantitative analysis of the species and content of the mixture in the mixture．It is widely used in the area of chemical warfare agents，drugs and explosives detection and environmental monitoring etc．．In this paper．we design and implement a peak identification system based on derivative method and wavelet transform and a qualitative identification system based graph theory for IMS． For the derivative method，firstly we use the mean filter method，the obtained spectral data is filtered． and then the first derivative and也e second derivative of也e spectral curve can be calculated．According to the change trend of the slope value，the starting point，the end point，the first inflection point and the top point can be identified．The signal are filtered using wavelet transform， which Can filter out most of the noise through the choice of scale． Result in smoothing of the curve．Then，the algorithm uses the moving window method to detect the key points of wavelet transform curve．The algorithm identify the peak feature by using the key points and the logical correspondence between them in the original peak， and ultimately get the peak start of peaks，peak and the acromion inflection point，peak point， valley points，peak end and SO on