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Doc isomer annotation #181
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43 changes: 43 additions & 0 deletions
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docs/module_docs/group_isomers/annotate_possible_isomers.md
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# Annotate possible isomers | ||
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## Description | ||
There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. Can you add a sentence how to trigger the visualizer? |
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This Module searches for signals with a very similar m/z within user-defined retention time | ||
boundaries and annotates them to allow easier identification of potential isomeric features. Ion | ||
mobility spectrometry helps to resolve such potential isomers. | ||
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## Parameters | ||
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#### Feature lists | ||
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Select the feature lists you want to be analyzed. | ||
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#### mz tolerance | ||
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The maximum allowed mz tolerance between two potential isomeric features. | ||
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#### RT tolerance | ||
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Maximum allowed tolerance for potential isomeric signals. | ||
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#### Maximum mobility change | ||
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Specifies the maximum change of mobility for a possible isomer. Used to rule out fragmented | ||
multimers. | ||
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#### Skip multimer fragments | ||
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If checked, the results will be refined to not falsely annotate fragments of multimers as isomeric | ||
compounds. Requires prior use of the Ion identity networking module. The given tolerance will be | ||
applied between a possible multimer and the multimer fragment. | ||
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#### Quality parameters - Minimum intensity | ||
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Minimum intensity of a possible isomer to be annotated. | ||
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#### Quality parameters - Minimum number of data points | ||
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Minimum number of data points in ion mobility trace to be recognised as a isomeric compound. | ||
Used to filter out noise after resolving. | ||
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![multiimsvisualiser.png](multiimsvisualiser.png) |
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I would not call it isomers because the module searches for isomers and isobars.