I am using unknowns ver 10.1 and quant ver 10.1. I am trying to create a qc report based on our previous qc report.
The report consisted of a TIC of the qc sample, spectrum of two of the qc compounds and isotope (2+) ratios of the same two compounds, in this case m/z 141/143 and 184/186 (pdf titled old qc report). I only need to show the spectra and isotope ratios of these two compounds.
In the old qc report you could utilize the tabulate command of Chemstation, which would show all m/z values of a compound as well as their abundances. I have yet not been able to tabulate the results similarly with the Field values of “SpectrumAbundaces” and “SpectrumMZS” under the binding “Component” as I haven’t been able to discover how they should be correctly implemented.
I have tried to create an unknowns custom report based on the AreaPercent.template.xml -template Custom report using mass hunter report builder . I have been able to create a template with all the hits as well as their spectra (QC-testi.template). However using this report template, all of the compound spectra are drawn and I cannot filter the spectrum to only the two needed compounds. From quant I have been trying to filter the target compounds into different groups using "cmd group" column, but it appears that I can't use that to filter the results as I have yet not been able to find a binding where I could filter the results, similarly as in my previous post when filtering out the blank sample spectra from the sample spectrum. Few issues with report builder 10.2 and quantitative analysis
I also have tried to :
1) make a quant batch with new compounds created to be used as the isotope ratio m/z values MassHunter Quant Method - include isotopic masses in a single compound entry . Unknowns does not find these compounds.
2) manually add compounds in unknowns. I can add a manual compound based on RT, but I am unable to change anything about them (name, m/z etc) and I cannot move these compounds into targets.
I have quickly noticed that there are different “versions” of report builder software if the report template was made specifically for unknowns based on the different bindings. I have also listed the forum questions inside this text which I have used as help.
Thanks in advance!
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<OutlineLevel xsi:nil="true" />
<FieldValue>
<BindingName>Hit</BindingName>
<FieldName>CompoundName</FieldName>
<Localize>false</Localize>
</FieldValue>
<Paddings>
<Left>1pt</Left>
<Top>1pt</Top>
<Right>1pt</Right>
<Bottom>1pt</Bottom>
</Paddings>
</Textbox>
</Cell>
<Cell>
<ColumnSpan>1</ColumnSpan>
<Textbox>
<ID>Textbox14</ID>
<HorizontalAlign>Right</HorizontalAlign>
<VerticalAlign>Top</VerticalAlign>
<ContentType xsi:nil="true" />
<Text>Textbox14</Text>
<OutlineLevel xsi:nil="true" />
<FieldValue>
<BindingName>Component</BindingName>
<FieldName>StartX</FieldName>
<Localize>false</Localize>
</FieldValue>
<FieldFormat>
<BindingName>Component</BindingName>
<FieldName>StartX</FieldName>
</FieldFormat>
<Paddings>
<Left>1pt</Left>
<Top>1pt</Top>
<Right>1pt</Right>
<Bottom>1pt</Bottom>
</Paddings>
</Textbox>
</Cell>
<Cell>
<ColumnSpan>1</ColumnSpan>
<Textbox>
<ID>Textbox16</ID>
<HorizontalAlign>Right</HorizontalAlign>
<VerticalAlign>Top</VerticalAlign>
<ContentType xsi:nil="true" />
<Text>Textbox16</Text>
<OutlineLevel xsi:nil="true" />
<FieldValue>
<BindingName>Component</BindingName>
<FieldName>EndX</FieldName>
<Localize>false</Localize>
</FieldValue>
<FieldFormat>
<BindingName>Component</BindingName>
<FieldName>EndX</FieldName>
</FieldFormat>
<Paddings>
<Left>1pt</Left>
<Top>1pt</Top>
<Right>1pt</Right>
<Bottom>1pt</Bottom>
</Paddings>
</Textbox>
</Cell>
<Cell>
<ColumnSpan>1</ColumnSpan>
<Textbox>
<ID>Textbox26</ID>
<HorizontalAlign>Right</HorizontalAlign>
<VerticalAlign>Top</VerticalAlign>
<ContentType xsi:nil="true" />
<Text>Textbox26</Text>
<OutlineLevel xsi:nil="true" />
<FieldValue>
<BindingName>Component</BindingName>
<FieldName>Height</FieldName>
<Localize>false</Localize>
</FieldValue>
<FieldFormat>
<BindingName>Component</BindingName>
<FieldName>Height</FieldName>
</FieldFormat>
<Paddings>
<Left>1pt</Left>
<Top>1pt</Top>
<Right>1pt</Right>
<Bottom>1pt</Bottom>
</Paddings>
</Textbox>
</Cell>
<Cell>
<ColumnSpan>1</ColumnSpan>
<Textbox>
<ID>Textbox18</ID>
<HorizontalAlign>Right</HorizontalAlign>
<VerticalAlign>Top</VerticalAlign>
<ContentType xsi:nil="true" />
<Text>Textbox18</Text>
<OutlineLevel xsi:nil="true" />
<FieldValue>
<BindingName>Component</BindingName>
<FieldName>Area</FieldName>
<Localize>false</Localize>
</FieldValue>
<FieldFormat>
<BindingName>Component</BindingName>
<FieldName>Area</FieldName>
</FieldFormat>
<Paddings>
<Left>1pt</Left>
<Top>1pt</Top>
<Right>1pt</Right>
<Bottom>1pt</Bottom>
</Paddings>
</Textbox>
</Cell>
<Cell>
<ColumnSpan>1</ColumnSpan>
<Textbox>
<ID>Textbox20</ID>
<HorizontalAlign>Right</HorizontalAlign>
<VerticalAlign>Top</VerticalAlign>
<ContentType xsi:nil="true" />
<Text>Textbox20</Text>
<OutlineLevel xsi:nil="true" />
<FieldValue>
<BindingName>Component</BindingName>
<FieldName>AreaPercentMax</FieldName>
<Localize>false</Localize>
</FieldValue>
<FieldFormat>
<BindingName>Component</BindingName>
<FieldName>Area</FieldName>
</FieldFormat>
<Paddings>
<Left>1pt</Left>
<Top>1pt</Top>
<Right>1pt</Right>
<Bottom>1pt</Bottom>
</Paddings>
</Textbox>
</Cell>
<Cell>
<ColumnSpan>1</ColumnSpan>
<Textbox>
<ID>Textbox22</ID>
<HorizontalAlign>Right</HorizontalAlign>
<VerticalAlign>Top</VerticalAlign>
<ContentType xsi:nil="true" />
<Text>Textbox22</Text>
<OutlineLevel xsi:nil="true" />
<FieldValue>
<BindingName>Component</BindingName>
<FieldName>AreaPercent</FieldName>
<Localize>false</Localize>
</FieldValue>
<FieldFormat>
<BindingName>Component</BindingName>
<FieldName>AreaPercentMax</FieldName>
</FieldFormat>
<Paddings>
<Left>1pt</Left>
<Top>1pt</Top>
<Right>1pt</Right>
<Bottom>1pt</Bottom>
</Paddings>
</Textbox>
</Cell>
</Cells>
</Row>
</Rows>
</Table>
</Items>
<Hidden>false</Hidden>
</List>
<List>
<ID>List2</ID>
<DataBinding>
<BindingName>Sample</BindingName>
<DataName>SelectedSample</DataName>
<ProcessThisLayer>false</ProcessThisLayer>
<LeftOuterJoin>false</LeftOuterJoin>
<Expression />
<Filters />
<Order>
<Order>
<FieldName>AcqDateTime</FieldName>
<Ascending>true</Ascending>
</Order>
</Order>
</DataBinding>
<Items>
<Table>
<ID>Table4</ID>
<KeepTogether>false</KeepTogether>
<WidthPercentage>100</WidthPercentage>
<PageBreak>None</PageBreak>
<HorizontalAlign>Left</HorizontalAlign>
<HeaderRows>1</HeaderRows>
<Hidden>false</Hidden>
<Flow>false</Flow>
<SpacingBefore>5pt</SpacingBefore>
<DefaultCellBorders />
<DataBinding>
<BindingName>Component</BindingName>
<DataName>Component</DataName>
<ProcessThisLayer>false</ProcessThisLayer>
<LeftOuterJoin>false</LeftOuterJoin>
<Expression />
<Filters>
<Filter>
<FieldName>BatchID</FieldName>
<Operator>Equals</Operator>
<ConcatenationType>And</ConcatenationType>
<Value />
<FieldValue>
<BindingName>Sample</BindingName>
<FieldName>BatchID</FieldName>
</FieldValue>
</Filter>
<Filter>
<FieldName>SampleID</FieldName>
<Operator>Equals</Operator>
<ConcatenationType>And</ConcatenationType>
<Value />
<FieldValue>
<BindingName>Sample</BindingName>
<FieldName>SampleID</FieldName>
</FieldValue>
</Filter>
<Filter>
<FieldName>BestHit</FieldName>
<Operator>Equals</Operator>
<ConcatenationType>And</ConcatenationType>
<Value>1</Value>
</Filter>
</Filters>
<Order>
<Order>
<FieldName>RetentionTime</FieldName>
<Ascending>true</Ascending>
</Order>
</Order>
<DataBindings>
<DataBinding>
<BindingName>Hit</BindingName>
<DataName>Hit</DataName>
<ProcessThisLayer>false</ProcessThisLayer>
<LeftOuterJoin>false</LeftOuterJoin>
<Expression />
<Filters>
<Filter>
<FieldName>BatchID</FieldName>
<Operator>Equals</Operator>
<ConcatenationType>And</ConcatenationType>
<Value />
<FieldValue>
<BindingName>Component</BindingName>
<FieldName>BatchID</FieldName>
</FieldValue>
</Filter>
<Filter>
<FieldName>SampleID</FieldName>
<Operator>Equals</Operator>
<ConcatenationType>And</ConcatenationType>
<Value />
<FieldValue>
<BindingName>Component</BindingName>
<FieldName>SampleID</FieldName>
</FieldValue>
</Filter>
<Filter>
<FieldName>DeconvolutionMethodID</FieldName>
<Operator>Equals</Operator>
<ConcatenationType>And</ConcatenationType>
<Value />
<FieldValue>
<BindingName>Component</BindingName>
<FieldName>DeconvolutionMethodID</FieldName>
</FieldValue>
</Filter>
<Filter>
<FieldName>ComponentID</FieldName>
<Operator>Equals</Operator>
<ConcatenationType>And</ConcatenationType>
<Value />
<FieldValue>
<BindingName>Component</BindingName>
<FieldName>ComponentID</FieldName>
</FieldValue>
</Filter>
<Filter>
<FieldName>HitID</FieldName>
<Operator>Equals</Operator>
<ConcatenationType>And</ConcatenationType>
<Value />
<FieldValue>
<BindingName>Component</BindingName>
<FieldName>PrimaryHitID</FieldName>
</FieldValue>
</Filter>
<Filter>
<FieldName>Visible</FieldName>
<Operator>Equals</Operator>
<ConcatenationType>And</ConcatenationType>
<Value>True</Value>
</Filter>
</Filters>
</DataBinding>
</DataBindings>
</DataBinding>
<Columns>
<Column>
<RelativeWidth>1</RelativeWidth>
</Column>
<Column>
<RelativeWidth>1</RelativeWidth>
</Column>
<Column>
<RelativeWidth>1</RelativeWidth>
</Column>
<Column>
<RelativeWidth>1</RelativeWidth>
</Column>
</Columns>
<Rows>
<Row>
<Cells>
<Cell>
<ColumnSpan>1</ColumnSpan>
</Cell>
<Cell>
<ColumnSpan>1</ColumnSpan>
</Cell>
<Cell>
<ColumnSpan>1</ColumnSpan>
</Cell>
<Cell>
<ColumnSpan>1</ColumnSpan>
</Cell>
</Cells>
</Row>
<Row>
<Cells>
<Cell>
<ColumnSpan>4</ColumnSpan>
<Graphics>
<ID>ComponentSpectrum2</ID>
<WidthPercentage>100</WidthPercentage>
<Name>ComponentSpectrum</Name>
<Height>80pt</Height>
<Parameters>
<Parameter>
<Name>BatchID</Name>
<FieldValue>
<BindingName>Hit</BindingName>
<FieldName>BatchID</FieldName>
</FieldValue>
</Parameter>
<Parameter>
<Name>SampleID</Name>
<FieldValue>
<BindingName>Hit</BindingName>
<FieldName>SampleID</FieldName>
</FieldValue>
</Parameter>
<Parameter>
<Name>DeconvolutionMethodID</Name>
<FieldValue>
<BindingName>Hit</BindingName>
<FieldName>DeconvolutionMethodID</FieldName>
</FieldValue>
</Parameter>
<Parameter>
<Name>ComponentID</Name>
<FieldValue>
<BindingName>Hit</BindingName>
<FieldName>ComponentID</FieldName>
</FieldValue>
</Parameter>
<Parameter>
<Name>HitID</Name>
<FieldValue>
<BindingName>Hit</BindingName>
<FieldName>HitID</FieldName>
</FieldValue>
</Parameter>
</Parameters>
</Graphics>
</Cell>
<Cell>
<ColumnSpan>1</ColumnSpan>
<Textbox>
<ID>Textbox29</ID>
<HorizontalAlign>Center</HorizontalAlign>
<VerticalAlign>Top</VerticalAlign>
<ContentType xsi:nil="true" />
<Text>Data</Text>
<OutlineLevel xsi:nil="true" />
<Paddings>
<Left>1pt</Left>
<Top>1pt</Top>
<Right>1pt</Right>
<Bottom>1pt</Bottom>
</Paddings>
</Textbox>
</Cell>
<Cell>
<ColumnSpan>1</ColumnSpan>
</Cell>
<Cell>
<ColumnSpan>1</ColumnSpan>
</Cell>
</Cells>
</Row>
</Rows>
</Table>
</Items>
<Hidden>false</Hidden>
</List>
</Items>
</Body>
</Page>
</Pages>
<TextSets>
<TextSet ID="Footer_Right">
<TextValue>Generated at &[Time] on &[Date]</TextValue>
<TextValue Culture="ja">作成日時 &[Date] &[Time]</TextValue>
<TextValue Culture="ru-RU">Создан в &[Time] &[Date]</TextValue>
<TextValue Culture="zh-Hans">生成时间 &[Date] &[Time]</TextValue>
</TextSet>
<TextSet ID="Footer_Center">
<TextValue>Page &[Page] of &[Pages]</TextValue>
<TextValue Culture="ja">&[Page] / &[Pages]</TextValue>
<TextValue Culture="ru-RU">Стр. &[Page] из &[Pages]</TextValue>
<TextValue Culture="zh-Hans">第 &[Page] 页/共 &[Pages] 页</TextValue>
</TextSet>
<TextSet ID="Header_Center">
<TextValue>Area Percent Report</TextValue>
<TextValue Culture="ja">面積パーセントレポート</TextValue>
<TextValue Culture="ru-RU">Отчет о процентах площади</TextValue>
<TextValue Culture="zh-Hans">面积百分比报告</TextValue>
</TextSet>
<TextSet ID="RT">
<TextValue>RT Min</TextValue>
<TextValue Culture="ja">RT (min)</TextValue>
<TextValue Culture="ru-RU">ВУ мин</TextValue>
<TextValue Culture="zh-Hans">RT(Min)</TextValue>
</TextSet>
<TextSet ID="StartX">
<TextValue>Start Min</TextValue>
<TextValue Culture="ja">開始 (min)</TextValue>
<TextValue Culture="ru-RU">Старт мин</TextValue>
<TextValue Culture="zh-Hans">开始时间(min)</TextValue>
</TextSet>
<TextSet ID="EndX">
<TextValue>End Min</TextValue>
<TextValue Culture="ja">終了 (min)</TextValue>
<TextValue Culture="ru-RU">Конец мин</TextValue>
<TextValue Culture="zh-Hans">结束时间(min)</TextValue>
</TextSet>
<TextSet ID="Height">
<TextValue>Peak Height</TextValue>
<TextValue Culture="ja">ピーク高さ</TextValue>
<TextValue Culture="ru-RU">Высота пика</TextValue>
<TextValue Culture="zh-Hans">峰高</TextValue>
</TextSet>
<TextSet ID="Area">
<TextValue>Peak Area</TextValue>
<TextValue Culture="ja">ピーク面積</TextValue>
<TextValue Culture="ru-RU">Площадь пика</TextValue>
<TextValue Culture="zh-Hans">峰面积</TextValue>
</TextSet>
<TextSet ID="% of Total">
<TextValue>% of Total</TextValue>
<TextValue Culture="ja">合計 %</TextValue>
<TextValue Culture="ru-RU">% от суммы</TextValue>
<TextValue Culture="zh-Hans">%/总数</TextValue>
</TextSet>
<TextSet ID="Pk#">
<TextValue>Pk#</TextValue>
<TextValue Culture="ja">ピーク#</TextValue>
<TextValue Culture="ru-RU">Пик №</TextValue>
<TextValue Culture="zh-Hans">峰#</TextValue>
</TextSet>
<TextSet ID="Title">
<TextValue>Area Percent Report</TextValue>
<TextValue Culture="ja">面積パーセントレポート</TextValue>
<TextValue Culture="ru-RU">Отчет о процентах площади</TextValue>
<TextValue Culture="zh-Hans">面积百分比报告</TextValue>
</TextSet>
<TextSet ID="%Max">
<TextValue>Peak % Max</TextValue>
<TextValue Culture="ja">最大ピーク %</TextValue>
<TextValue Culture="ru-RU">Пик % Макс</TextValue>
<TextValue Culture="zh-Hans">最大峰百分比</TextValue>
</TextSet>
<TextSet ID="DataPathName">
<TextValue>Data Path Name</TextValue>
<TextValue Culture="ja">データパス</TextValue>
<TextValue Culture="ru-RU">Папка данных</TextValue>
<TextValue Culture="zh-Hans">数据路径名称</TextValue>
</TextSet>
<TextSet ID="AcqMethodFileName">
<TextValue>Acq Method</TextValue>
<TextValue Culture="ja">測定メソッド</TextValue>
<TextValue Culture="ru-RU">Метод сб. д</TextValue>
<TextValue Culture="zh-Hans">采集方法</TextValue>
</TextSet>
<TextSet ID="AcqDateTime">
<TextValue>Acq Date Time</TextValue>
<TextValue Culture="ja">測定日時</TextValue>
<TextValue Culture="ru-RU">Дата и время анализа</TextValue>
<TextValue Culture="zh-Hans">采集日期时间</TextValue>
</TextSet>
<TextSet ID="SampleName">
<TextValue>Sample Name</TextValue>
<TextValue Culture="ja">サンプル名</TextValue>
<TextValue Culture="ru-RU">Название пробы</TextValue>
<TextValue Culture="zh-Hans">样品名称</TextValue>
</TextSet>
</TextSets>
<DefaultFonts>
<DefaultFont>
<Name>ARIALUNI</Name>
<Size>9</Size>
<Italic>false</Italic>
<Strikeout>false</Strikeout>
<Underline>false</Underline>
<Bold>false</Bold>
</DefaultFont>
<DefaultFont Culture="en">
<Name>Tahoma</Name>
<Size xsi:nil="true" />
<Italic>false</Italic>
<Strikeout>false</Strikeout>
<Underline>false</Underline>
<Bold>false</Bold>
</DefaultFont>
<DefaultFont Culture="ja">
<Name>MS Gothic</Name>
<Size xsi:nil="true" />
<Italic>false</Italic>
<Strikeout>false</Strikeout>
<Underline>false</Underline>
<Bold>false</Bold>
</DefaultFont>
<DefaultFont Culture="zh-Hans">
<Name>SimSun</Name>
<Size xsi:nil="true" />
<Italic>false</Italic>
<Strikeout>false</Strikeout>
<Underline>false</Underline>
<Bold>false</Bold>
</DefaultFont>
<DefaultFont Culture="ru">
<Name>ARIALUNI</Name>
<Size xsi:nil="true" />
<Italic>false</Italic>
<Strikeout>false</Strikeout>
<Underline>false</Underline>
<Bold>false</Bold>
</DefaultFont>
</DefaultFonts>
</ReportTemplate>
