hermoTQ-AnalystOverview-熱電紅外

1、TQ ANALYSTPutting your applications on target以應(yīng)用為目標(biāo)哪些情況下OMNIC難以滿(mǎn)足要求？定量分析OMNIC可以手動(dòng)積分面積，然后excel處理問(wèn)題直接建立標(biāo)準(zhǔn)曲線(xiàn)并定量分析？譜峰重疊怎么辦？復(fù)雜體系怎么辦？哪些情況下OMNIC難以滿(mǎn)足要求？定性分析OMNIC通過(guò)譜圖解析，判斷分子結(jié)構(gòu)問(wèn)題“當(dāng)前的樣品與標(biāo)準(zhǔn)樣品是否一樣？相似或接近程度為多少？”“產(chǎn)品或原料是否合格？”“所測(cè)定的樣品屬于哪一類(lèi)”“所測(cè)的樣品與庫(kù)中的哪一個(gè)樣品最接近？相似程度為多少？”運(yùn)用化學(xué)計(jì)量學(xué)方法進(jìn)行光譜分析Uses of Chemometrics for Spectral An

2、alysis定量分析Quantitative analysis樣品中指標(biāo)成分的量How much of what I want is in this stuff?原料鑒別和確認(rèn)Material identification and confirmation該樣品是哪一類(lèi)？是否符合需要？What is this stuff and is it what I want?光譜變異分析Analysis of variance in a set of spectra昂貴的樣品確實(shí)符合要求會(huì)否存在什么問(wèn)題嗎Is there something wrong with how this expensive b

3、ox is doing its job?TQ的關(guān)鍵優(yōu)點(diǎn)Key Advantages of TQ與OMNIC軟件和Nicolet的儀器相互兼容Fully integrated with OMNIC and optical bench.借助人工智能技術(shù)給用戶(hù)提供幫助Utilizes Artificial Intelligence to assist the user.交互式的幫助和解釋信息Truly easier to use with interactive help and explanations.可滿(mǎn)足所有振動(dòng)光譜的應(yīng)用Optimized for vibrational spectrosc

4、opy.專(zhuān)為實(shí)際QA/QC應(yīng)用工作而設(shè)計(jì)Designed for real world QA/QC applications.通過(guò)從左至右依次逐步輸入恰當(dāng)而必須的信息，來(lái)創(chuàng)建一個(gè)方法Creating a method involves stepping through the menu system and entering the appropriate information where needed.每一步中都可以通過(guò)“Suggest”和“Explain”獲取幫助和提示Suggest and Explain features available every step of the way

5、.TQ環(huán)環(huán)相扣的設(shè)計(jì)TQ Analyst Tab SystemSuggest運(yùn)用TQ的診斷功能對(duì)所提供的數(shù)據(jù)和相關(guān)信息作出解釋?zhuān)詭椭褂谜咴谙鄳?yīng)的步驟中選擇合理的參數(shù)設(shè)置Suggest uses TQs diagnostic capabilities to interpret your data to choose possible values for different variables in the software.僅當(dāng)足夠的信息被提供的時(shí)候，Suggest才能發(fā)揮作用Suggest only works if there is sufficient information pre

6、sent in the method parameters to perform the evaluation.Suggest功能按鈕僅出現(xiàn)在有意義的窗口中Suggest is available only on tabs where is makes sense.“Suggest”特征Suggest FeatureSuggest功能實(shí)例Suggesting the MethodExplain提供為T(mén)Q軟件的各個(gè)方面提供信息Explain provides information about all aspects of the TQ Analyst software.Explain運(yùn)行時(shí)（按

7、鈕按下?tīng)顟B(tài)），鼠標(biāo)點(diǎn)擊任意項(xiàng)目，即彈出該項(xiàng)目的解釋窗口With Explain running(button in depressed state), any topic you click on will appear in the explain window.Explain告訴使用者如何執(zhí)行特定的功能以及為何需要選擇這項(xiàng)功能Explain tells how to perform the specified function as well as why that particular selection would be used.可以從Option選項(xiàng)中關(guān)閉打開(kāi)軟件時(shí)的自動(dòng)彈出功能Y

8、ou can shut the automatic help feature off under Options“Explain”特征Explain Feature“Explain”特征Explain Feature關(guān)閉自動(dòng)彈出功能Shutting Off Automatic Help Topics通過(guò)從左至右依次逐步輸入恰當(dāng)而必須的信息，來(lái)創(chuàng)建一個(gè)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、過(guò)“Suggest”和“Explain”獲取幫助和提示Suggest and Explain features available every step of the way.TQ環(huán)環(huán)相扣的設(shè)計(jì)體系TQ Analyst Tab System該窗口定義This TAB defines:分類(lèi)還是定量Is the data to be classified or quantified方法類(lèi)型What type of method is to be created其它信息如名稱(chēng)，創(chuàng)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即可對(duì)數(shù)據(jù)作出評(píng)估，并推薦方法類(lèi)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有多個(gè)選項(xiàng)Many pathlength options are available.光程窗口Pathlength Tab“Undecided ”選項(xiàng)將讓TQ根據(jù)數(shù)據(jù)分析作出選擇U

11、ndecided option allows TQ to predict a selection.光程類(lèi)型下面的信息將根據(jù)所選擇的光程類(lèi)型相應(yīng)改變Information below Pathlength Type changes with type.SNV選項(xiàng)SNV option.“Assess Feasibility可行性評(píng)估”功能可幫助判斷紅外光譜中的是否存在足夠的變化的信息Assess Feasibility option helps determine if sufficient spectral variation exists for the method to work by i

12、nfrared analysis.組分名稱(chēng)、小數(shù)點(diǎn)位數(shù)和單位需要被提供Name and number of components as well as units required for result labeling.如果方法類(lèi)型是分類(lèi)，“組分窗口”則變成“類(lèi)別窗口Classes”Tab changes to Classes for Classification methods定義上下限D(zhuǎn)efine limits if known可能的含量分析范圍（限）和光程范圍對(duì)于“Suggest Standards” 時(shí)必須的參數(shù)Analysis Limits define range of poss

13、ibilities for concentration and pathlength and are required to Suggest Standards“可接受限Acceptance Limits”指滿(mǎn)意結(jié)果的范圍 Acceptance Limits define range of satisfactory results組分相互作用選項(xiàng)Component Interaction option組分窗口Component Tab組分窗口Components Tab許多功能按鈕Many function buttons.Suggest用于標(biāo)準(zhǔn)樣品的設(shè)計(jì)，以含量范圍為基礎(chǔ)，設(shè)計(jì)涵蓋含量空間的

14、標(biāo)準(zhǔn)樣品Suggest designs standards to fill concentration space based on component ranges因子設(shè)計(jì)或隨機(jī)設(shè)計(jì)Factorial or “Random” design“Evaluate評(píng)估”用于測(cè)試標(biāo)準(zhǔn)樣品的充分性Evaluate tests for standard design adequacyOpen打開(kāi)并添加現(xiàn)有標(biāo)準(zhǔn)樣品光譜Open existing standards察看表格中的光譜圖View standard spectra from table排序功能Sort function標(biāo)準(zhǔn)窗口Standards T

15、ab (1)標(biāo)準(zhǔn)窗口Standards Tab (2)復(fù)選框選項(xiàng)Option checkboxes:顯示選項(xiàng)Standard file display options光譜名稱(chēng)和/或文件名Titles and/or filenames光譜處理選項(xiàng)Spectral processing option選中“Allow spectral processing ”將激活“光譜Spectra”窗口A(yíng)llow spectral processing turns on Spectra tab用于設(shè)置顯示經(jīng)處理前還是經(jīng)處理后的光譜圖的選項(xiàng)Option to view native or processed sp

16、ectraY軸范圍限制選項(xiàng)Y-range restriction option標(biāo)準(zhǔn)窗口Standards Tab (3)打開(kāi)預(yù)存的標(biāo)準(zhǔn)光譜圖文件Open standards as pre-existing files or run from TQ Analyst directly.打開(kāi)標(biāo)準(zhǔn)樣品光譜圖時(shí)的選項(xiàng)Options when opening standards:Spg光譜群文件可以被使用Spectral group files can be used“spectral comments”中的含量數(shù)據(jù)可以自動(dòng)被添加Concentration data from spectral comme

17、nts can be used to automatically fill in the table組分窗口信息指導(dǎo)每個(gè)標(biāo)準(zhǔn)所需的信息類(lèi)型Component Tab information directs type of information needed for each standard定義每個(gè)標(biāo)準(zhǔn)的用途信息：忽略Ignore,校正Calibration還是驗(yàn)證validation Decide if each standard will be ignored, used for calibration, or validation標(biāo)準(zhǔn)窗口Standards Tab光譜窗口Spectra

18、 Tab光譜數(shù)據(jù)預(yù)處理選項(xiàng)Data pretreatment options:光譜格式-原始光譜, 1st和2nd導(dǎo)數(shù)（微分）Spectral format - native, 1st or 2nd derivative平滑-無(wú)平滑, Savitzky-Golay平滑, Norris derivative平滑 Smoothing - none, Savitzky-Golay, Norris derivative這些功能與“Pathlength窗口”, “Other窗口”及“Regions窗口”一起共同形成光譜預(yù)處理程序These functions combine with those fro

19、m Pathlength, Other, & Regions tabs for total spectral pretreatment package.光譜窗口Spectra Tab用于設(shè)置光譜范圍及光譜基線(xiàn)處理方法Used to define spectral range(s) and baseline handling for spectra processing.TQ軟件的Suggest功能將依據(jù)Standard的信息推薦可能的光譜范圍TQ Analyst will look at the standard information and suggest possible regions

20、 when Suggest button used.光譜范圍和基線(xiàn)類(lèi)型將根據(jù)方法類(lèi)型和組分?jǐn)?shù)量的不同而不同Regions and baseline types selected will vary depending on method type and number of components.光譜區(qū)域（范圍）窗口Regions Tab光譜區(qū)域（范圍）窗口Regions Tab上表用于設(shè)置光譜區(qū)域類(lèi)型和范圍及基線(xiàn)類(lèi)型和范圍Upper table used to define region type & location and baseline type & location.下表用于設(shè)置特

21、定組分所使用的光譜范圍Lower table defines which region to use for a particular component.交互式的選擇光譜范圍Allows interactive alteration of the selected regions to be used in the analysis.易于調(diào)整光譜范圍并通過(guò)re-recalibration檢驗(yàn)調(diào)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譜的各種工具

22、Palette tools available to view the spectral data in different ways.統(tǒng)計(jì)光譜（方差, 平均, 相關(guān)）Statistical spectra (variance, mean, correlation)純組分光譜Pure component spectra高-中-低光譜顯示工具或光譜選擇工具High-Medium-Low display tool or selected spectra編輯光譜范圍Editing Regions編輯光譜范圍Edit Regions校正窗口Calibration Window修正窗口Correctio

23、ns Tab修正是一種“預(yù)測(cè)后post-prediction”的對(duì)結(jié)果的數(shù)學(xué)調(diào)整Corrections are post-prediction mathematical “adjustments” to results.修正不影響校正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、自動(dòng)推薦或/和手動(dòng)編輯Suggest and/or manually edit不同的方法類(lèi)型method type，在Other tab中的選項(xiàng)和參數(shù)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.用于設(shè)置一些特定參數(shù)Allows for definition of required variables.其它窗口Other TabOther Tab舉例Example “Other” TabsPLSSimilarity MatchSearch StandardsDiscriminant AnalysisSMLR的Other TabSMLR有多個(gè)獨(dú)特的參數(shù)SMLR has several unique parameters報(bào)告設(shè)置決定了報(bào)告中將顯示的內(nèi)容Report settings determine what information the user will see on report