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Merge pull request #132 from kyrasolaris01/update_lipid_annotation_pa…
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…rameters

Update lipid annotation MSMS parameters
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ansgarkorf authored Apr 10, 2024
2 parents 9f98850 + 1d34708 commit dccdad0
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6 changes: 3 additions & 3 deletions docs/module_docs/id_lipid_annotation/lipid-annotation.md
Original file line number Diff line number Diff line change
Expand Up @@ -31,7 +31,7 @@ This rule-based annotation approach follows Lipidomics Standards Initiative guid
This parameter lists all pre-configured lipid classes in MZmine. Each selected lipid class will be added to the search scope.

#### Side chain parameters
![matched-signals](side-chain-parameters.png)
![side-chains](side-chain-parameters.png)

Set the allowed min and max for chain length (number of carbons) and double bond equivalents (DBE) in a lipid chain. The number of chains is defined in the lipid class.
12 to 26 carbons and 0 to 6 DBEs is recommended as a starting point.
Expand All @@ -48,7 +48,7 @@ Set the allowed min and max for chain length (number of carbons) and double bond
Enter m/z tolerance for exact mass matching on MS1 level. Lipids outside the m/z tolerance will not be matched.

#### Search for lipid class-specific fragments in MS/MS spectra
![side-chains](side-chain-parameters.png)
![msms-parameters](MSMS-Parameters.png)

Activate this parameter to highly increase lipid annotation confidence.

Expand All @@ -57,7 +57,7 @@ Activate this parameter to highly increase lipid annotation confidence.
Mass detection on MS2 level needs to be performed first.

Set a mz tolerance for matching signals in MS2 spectra.
Set a Minimum MS/MS score to accept a lipid annotation. The score is the explained intensity [%] of all signals in MS/MS spectrum. Matches below the set score will be removed, except the optional parameter Keep unconfirmed annotations is selected.
Set a Minimum Explained intensity to accept a lipid annotation. Matches below the set value will be removed, except the optional parameter Keep unconfirmed annotations is selected.
Unconfirmed annotations will be marked with a comment in the feature list.

#### Search for custom lipid class
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