diff --git a/docs/module_docs/group_isomers/annotate_possible_isomers.md b/docs/module_docs/group_isomers/annotate_possible_isomers.md new file mode 100644 index 00000000..0715b8b7 --- /dev/null +++ b/docs/module_docs/group_isomers/annotate_possible_isomers.md @@ -0,0 +1,43 @@ +# Annotate possible isomers + +## Description + +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. + +## Parameters + +#### Feature lists + +Select the feature lists you want to be analyzed. + +#### mz tolerance + +The maximum allowed mz tolerance between two potential isomeric features. + +#### RT tolerance + +Maximum allowed tolerance for potential isomeric signals. + +#### Maximum mobility change + +Specifies the maximum change of mobility for a possible isomer. Used to rule out fragmented +multimers. + +#### Skip multimer fragments + +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. + +#### Quality parameters - Minimum intensity + +Minimum intensity of a possible isomer to be annotated. + +#### Quality parameters - Minimum number of data points + +Minimum number of data points in ion mobility trace to be recognised as a isomeric compound. +Used to filter out noise after resolving. + +![multiimsvisualiser.png](multiimsvisualiser.png) diff --git a/docs/module_docs/group_isomers/multiimsvisualiser.png b/docs/module_docs/group_isomers/multiimsvisualiser.png new file mode 100644 index 00000000..8bd50931 Binary files /dev/null and b/docs/module_docs/group_isomers/multiimsvisualiser.png differ