近红外光谱的数字化存储和应用的可行性探讨  

Feasibility Study on Digital Storage and Application of Near-infrared Spectra

作　　者：袭辰辰[1,2] 冯艳春[2] 胡昌勤[2] 

机构地区：[1]天津中医药大学,天津300193 [2]中国食品药品检定研究院

出　　处：《中国药事》2013年第6期623-627,共5页Chinese Pharmaceutical Affairs

基　　金：公益性行业科研专项经费-"双打"中药品检验检测技术方法研究(编号2012104008-1)

摘　　要：目的对近红外光谱数字化存储和应用的可行性进行初步探讨。方法将样品近红外原始光谱转换为数字化形式并进行极值标准化处理,通过比较处理前后光谱的相似系数以及处理前后光谱所建立的定量分析模型的评价参数,初步考察了数字化存储后数据对于近红外定性、定量分析的影响。结果与结论数字化光谱保留4位有效数字即能满足近红外定性分析的需要,保留5位有效数字可满足近红外定量分析的需要。将近红外光谱进行数字化存储有一定的可行性。Objective To investigate the feasibility of digital near-infrared spectrum storage and applications. Methods In this research the original spectra of cefdinir capsules were converted into digital forms and normalized using max-min algorithm. The influences of digital spectra on the near-infrared （NIR） qualitative and quantitative analysis were discussed by comparing the similarity coefficients between the original spectra and the digital spectra and evaluation parameters of the established quantitative model before and after the digitalization treatment. Results and Conclusion The data of digital spectra should be kept to four decimal places for NIR qualitative analysis and to five decimal places for establishing and using NIR quantitative models. The digital storage of NIR spectra is feasible and can be used as the basic form of digital management of NIR spectra.

关 键 词：近红外光谱 数字化存储 保留位数 数字化管理 

分 类 号：R917[医药卫生—药物分析学]