【作者】 王丽娜；

【导师】 高玲； 于治楼；

【作者基本信息】 山东师范大学 ， 软件工程（专业学位）， 2014， 硕士

【摘要】 红外光谱(IR spectrum)分析技术研究的是物质分子结构、红外光谱吸收之间的关系，能够很好地分析物质分子结构，而且它具有分析速度快、无损检测等特点成为了一种绿色的化学分析方法。然而,红外光谱极为复杂,人工从光谱图上获得信息需要大量知识和经验的积累,并且也只能定性而不能进行定量分析。随着化学计量学近几十年的迅速发展，已日趋成熟，利用化学计量学方法对光谱数据进行分析和处理计算己成为从复杂体系的仪器分析数据中提取有用信息最有效和最具系统性的方法之一，它能够从数据背后得到物质组成和特性的大量定性、定量信息，成为光谱数据分析的有力工具和发展趋势。本文研究的内容是生物工程领域内的在线红外光谱数据分析系统的设计与实现，主要利用化学计量学中所涉及的算法对红外光谱数据进行定量和定性分析。在设计过程采用MVC软件设计模式、MFC应用程序开发框架、使用VC++调用MATLAB编译的链接库的方法对本系统进行开发。文章首先介绍了本系统开发的背景及意义、该系统在国内外研究现状和发展趋势、以及本文的主要工作；其次，介绍了在本系统的开发与设计过程中用到的相关技术，并对本文所涉及的化学计量学中的一些数学原理和方法进行了详细分析；然后，参照软件工程理论和面向对象程序设计方法和技术，从需求分析、系统设计、系统实现和测试等方面详细描述了系统所需要解决的主要问题以及各功能模块的开发与设计过程。其中在系统需求分析模块，以用例图的方式描述了系统的主要功能，并在系统设计模块对系统的技术架构和功能架构进行了详细分析和设计；在系统实现和测试模块，结合实例实现了系统的主要功模块功能，并对实验结果和系统性能进行了测试。最后，总结了论文所做的工作，指出本系统一些不足之处，并提出了相关建议。更多还原

【Abstract】 Infrared spectral analysis technology is a rapidly developing new and high technology.Compared with traditional analysis technology, it has a fast analysis speed, less dosage ofsamples, no damage to the sample and pollution, etc. However，Infrared spectrum is verycomplex, artificial solution of the spectrum requires a lot of knowledge and experienceaccumulated,which can only qualitative rather than quantitative analysis. With the rapiddevelopment of chemical metrology in recent decades, spectral data analysis by using chemicalmetrology method has become mature and applied in processing the complex data ofinstrumental analysis system to extract useful information. This method is one of the mosteffective and most systematic method to get from behind the data composition and features of alarge number of qualitative and quantitative information, So it will becomes a powerful tool forspectral data analysis.The content of this study is data analysis system’s design and implementation for online usesin the field of biological engineering. It mainly involved quantitative and qualitative analysis ofthe infrared spectrum data making use of chemical metrology algorithm. This system appliedMVC mode in software design and the use of MATLAB and VC++mixed programmingtechnology.In this article, it firstly introduces the background and research significance of thissystem development, the system’s present situation in the domestic and foreign researches andthe development trend, and the major work of this article. Secondly, it introduces relatedtechnologies used in the design process and the development of this system.It also makesdetailed analysis about the mathematical principle and method of chemical metrology involvedin this paper. Then, it described in detail the main problems of system needs to solve and thedevelopment and design of each function module from requirements analysis, system design,system implementation and system test according to the software engineering theory andobject-oriented programming methods and techniques. Case diagram was used to illustrate themain functions of this system in the requirements analysis module; It analyzed in detail thefunction of the system design module in the system architecture and designed the technicalarchitecture. In system implementation, it realized the main function modules of this system incombination with instance, and the system was tested. Finally, the paper work is summarized andprospect.更多还原