hermoTQ-AnalystOverview-热电红外

1、TQ ANALYSTPutting your applications on target以应用为目标哪些情况下OMNIC难以满足要求？定量分析OMNIC可以手动积分面积，然后excel处理问题直接建立标准曲线并定量分析？谱峰重叠怎么办？复杂体系怎么办？哪些情况下OMNIC难以满足要求？定性分析OMNIC通过谱图解析，判断分子结构问题“当前的样品与标准样品是否一样？相似或接近程度为多少？”“产品或原料是否合格？”“所测定的样品属于哪一类”“所测的样品与库中的哪一个样品最接近？相似程度为多少？”运用化学计量学方法进行光谱分析Uses of Chemometrics for Spectral An

2、alysis定量分析Quantitative analysis样品中指标成分的量How much of what I want is in this stuff?原料鉴别和确认Material identification and confirmation该样品是哪一类？是否符合需要？What is this stuff and is it what I want?光谱变异分析Analysis of variance in a set of spectra昂贵的样品确实符合要求会否存在什么问题吗Is there something wrong with how this expensive b

3、ox is doing its job?TQ的关键优点Key Advantages of TQ与OMNIC软件和Nicolet的仪器相互兼容Fully integrated with OMNIC and optical bench.借助人工智能技术给用户提供帮助Utilizes Artificial Intelligence to assist the user.交互式的帮助和解释信息Truly easier to use with interactive help and explanations.可满足所有振动光谱的应用Optimized for vibrational spectrosc

4、opy.专为实际QA/QC应用工作而设计Designed for real world QA/QC applications.通过从左至右依次逐步输入恰当而必须的信息，来创建一个方法Creating a method involves stepping through the menu system and entering the appropriate information where needed.每一步中都可以通过“Suggest”和“Explain”获取帮助和提示Suggest and Explain features available every step of the way

5、.TQ环环相扣的设计TQ Analyst Tab SystemSuggest运用TQ的诊断功能对所提供的数据和相关信息作出解释，以帮助使用者在相应的步骤中选择合理的参数设置Suggest uses TQs diagnostic capabilities to interpret your data to choose possible values for different variables in the software.仅当足够的信息被提供的时候，Suggest才能发挥作用Suggest only works if there is sufficient information pre

6、sent in the method parameters to perform the evaluation.Suggest功能按钮仅出现在有意义的窗口中Suggest is available only on tabs where is makes sense.“Suggest”特征Suggest FeatureSuggest功能实例Suggesting the MethodExplain提供为TQ软件的各个方面提供信息Explain provides information about all aspects of the TQ Analyst software.Explain运行时（按

7、钮按下状态），鼠标点击任意项目，即弹出该项目的解释窗口With Explain running(button in depressed state), any topic you click on will appear in the explain window.Explain告诉使用者如何执行特定的功能以及为何需要选择这项功能Explain tells how to perform the specified function as well as why that particular selection would be used.可以从Option选项中关闭打开软件时的自动弹出功能Y

8、ou can shut the automatic help feature off under Options“Explain”特征Explain Feature“Explain”特征Explain Feature关闭自动弹出功能Shutting Off Automatic Help Topics通过从左至右依次逐步输入恰当而必须的信息，来创建一个方法Creating a method involves stepping through the menu system and entering the appropriate information where needed.每一步中都可以通

9、过“Suggest”和“Explain”获取帮助和提示Suggest and Explain features available every step of the way.TQ环环相扣的设计体系TQ Analyst Tab System该窗口定义This TAB defines:分类还是定量Is the data to be classified or quantified方法类型What type of method is to be created其它信息如名称，创建者姓名及描述文字Extraneous information such as title, creators name,

10、 and description text. 只需最少的信息，Suggest即可对数据作出评估，并推荐方法类型With a minimum amount of information available, the suggest option will evaluate the data and recommend a method type描述窗口Description Tab描述窗口Description Tab有多个选项Many pathlength options are available.光程窗口Pathlength Tab“Undecided ”选项将让TQ根据数据分析作出选择U

11、ndecided option allows TQ to predict a selection.光程类型下面的信息将根据所选择的光程类型相应改变Information below Pathlength Type changes with type.SNV选项SNV option.“Assess Feasibility可行性评估”功能可帮助判断红外光谱中的是否存在足够的变化的信息Assess Feasibility option helps determine if sufficient spectral variation exists for the method to work by i

12、nfrared analysis.组分名称、小数点位数和单位需要被提供Name and number of components as well as units required for result labeling.如果方法类型是分类，“组分窗口”则变成“类别窗口Classes”Tab changes to Classes for Classification methods定义上下限Define limits if known可能的含量分析范围（限）和光程范围对于“Suggest Standards” 时必须的参数Analysis Limits define range of poss

13、ibilities for concentration and pathlength and are required to Suggest Standards“可接受限Acceptance Limits”指满意结果的范围 Acceptance Limits define range of satisfactory results组分相互作用选项Component Interaction option组分窗口Component Tab组分窗口Components Tab许多功能按钮Many function buttons.Suggest用于标准样品的设计，以含量范围为基础，设计涵盖含量空间的

14、标准样品Suggest designs standards to fill concentration space based on component ranges因子设计或随机设计Factorial or “Random” design“Evaluate评估”用于测试标准样品的充分性Evaluate tests for standard design adequacyOpen打开并添加现有标准样品光谱Open existing standards察看表格中的光谱图View standard spectra from table排序功能Sort function标准窗口Standards T

15、ab (1)标准窗口Standards Tab (2)复选框选项Option checkboxes:显示选项Standard file display options光谱名称和/或文件名Titles and/or filenames光谱处理选项Spectral processing option选中“Allow spectral processing ”将激活“光谱Spectra”窗口Allow spectral processing turns on Spectra tab用于设置显示经处理前还是经处理后的光谱图的选项Option to view native or processed sp

16、ectraY轴范围限制选项Y-range restriction option标准窗口Standards Tab (3)打开预存的标准光谱图文件Open standards as pre-existing files or run from TQ Analyst directly.打开标准样品光谱图时的选项Options when opening standards:Spg光谱群文件可以被使用Spectral group files can be used“spectral comments”中的含量数据可以自动被添加Concentration data from spectral comme

17、nts can be used to automatically fill in the table组分窗口信息指导每个标准所需的信息类型Component Tab information directs type of information needed for each standard定义每个标准的用途信息：忽略Ignore,校正Calibration还是验证validation Decide if each standard will be ignored, used for calibration, or validation标准窗口Standards Tab光谱窗口Spectra

18、 Tab光谱数据预处理选项Data pretreatment options:光谱格式-原始光谱, 1st和2nd导数（微分）Spectral format - native, 1st or 2nd derivative平滑-无平滑, Savitzky-Golay平滑, Norris derivative平滑 Smoothing - none, Savitzky-Golay, Norris derivative这些功能与“Pathlength窗口”, “Other窗口”及“Regions窗口”一起共同形成光谱预处理程序These functions combine with those fro

19、m Pathlength, Other, & Regions tabs for total spectral pretreatment package.光谱窗口Spectra Tab用于设置光谱范围及光谱基线处理方法Used to define spectral range(s) and baseline handling for spectra processing.TQ软件的Suggest功能将依据Standard的信息推荐可能的光谱范围TQ Analyst will look at the standard information and suggest possible regions

20、 when Suggest button used.光谱范围和基线类型将根据方法类型和组分数量的不同而不同Regions and baseline types selected will vary depending on method type and number of components.光谱区域（范围）窗口Regions Tab光谱区域（范围）窗口Regions Tab上表用于设置光谱区域类型和范围及基线类型和范围Upper table used to define region type & location and baseline type & location.下表用于设置特

21、定组分所使用的光谱范围Lower table defines which region to use for a particular component.交互式的选择光谱范围Allows interactive alteration of the selected regions to be used in the analysis.易于调整光谱范围并通过re-recalibration检验调整后的效果Easy to make changes and test the changes in the results through re-calibration.用于以不同方式查看光谱的各种工具

22、Palette tools available to view the spectral data in different ways.统计光谱（方差, 平均, 相关）Statistical spectra (variance, mean, correlation)纯组分光谱Pure component spectra高-中-低光谱显示工具或光谱选择工具High-Medium-Low display tool or selected spectra编辑光谱范围Editing Regions编辑光谱范围Edit Regions校正窗口Calibration Window修正窗口Correctio

23、ns Tab修正是一种“预测后post-prediction”的对结果的数学调整Corrections are post-prediction mathematical “adjustments” to results.修正不影响校正Corrections do not affect calibration.除了Simple Beers law , classification和Measurement外均可使用Can be used in all but Simple Beers law, classification, and Measurement only Analysis Types.

24、自动推荐或/和手动编辑Suggest and/or manually edit不同的方法类型method type，在Other tab中的选项和参数有很大不同Source of unique parameters specific to a particular Analysis Type.除了Simple Beers law, Undecided和 Measurement only 外，其它所有method type均有Other Tab Appears in all but Simple Beers law, Undecided, and Measurement only types.用于设置一些特定参数Allows for definition of required variables.其它窗口Other TabOther Tab举例Example “Other” TabsPLSSimilarity MatchSearch StandardsDiscriminant AnalysisSMLR的Other TabSMLR有多个独特的参数SMLR has several unique parameters报告设置决定了报告中将显示的内容Report settings determine what information the user will see on report