The Research And Application Of The Algorithm To Mass Spectral Data

As the GC-MS was universally used in so many fields,such as chemistry,marine,food safety,anti-terrorist,bioscience,food chemistry,pharmaceutical industry,environmental monitoring,materials analysis,petrochemical engineering and proteomics,the requirements for inspection should be more accurate and precise.The quantitative and qualitative method which can be used to analyze the original data of the instrument effectively and scientifically plays an important role during the whole process.Actually,the result of original data analysis will be affected by lots of factors,such as the experiment environment,chemistry noises,timeworn chromatographic column,the choice of standardized spectrum and how the samples are ionized.The following points will be displayed in this paper.(1)Based on the Vector space model which not only ignored the high dimension,but also had a big data to process when the spatial was built.a new method for computing the spectrum has been pushed out.Consequently,this essay will optimize the by reshaping the process of building the spatial model between two vectors.Finally,the results show that the new model not only lower the dimension of vector space but also reduce the computing data.What's more,the computing results between the spectrums are more similar than the Vector space model,which is exactly same with the one from NIST MS Search2.0 system.(2)With regard to the present concept,an independent data processing system was designed,which is based on NET Framework4.0 and can generate the API which can read some original document by the use of MATLAB.As a result,the original experiment data of mass spectrograph can be obtained.In addition,the current quantitative processing method can be written into this system to complete the data processing.163,195 standardized pictures extracted from NIST MS Search2.0 will be filled in the spectrum bank for searching.The experiment shows that the system displayed in this essay will not only make the quantitative and qualitative method for spectrum data realized but also connect with most data processing system abroad.