--- tags: Resources --- # Code to standardize | Name | Function | What does it do | | ----- | ---------------- | ------------------------------------------------------------------------- | | Elise | Extract_RamClust | Extract features from each cluster, select the one with highest intensity Elise | Plot_EIC |For each feature, the EIC is plotted for each sample Anton |FolderMZML|Converts all .d-files in a folder into mzML files Anton |calcAdductMass|Function calculating adduct mass based on exact neutral mass Anton & Olle|inclusionListGen|Function for automatically creating targeted analysis inclusion lists Yan|onehotencoding|Convert factor variables to n 01 variables (n is number of levels) and convert data frame to matrix Calle | mzCalc | Calculate "usual suspects" for different ions/adducts in pos/neg ionization from a monoisotopic mass as input Calle | extractFeats (CRC) | Find and extract the feature in a peak table closest in mz to your specified target Calle | getCoelutes (CRC) | find features coeluting with your target feature Calle | eAdjust (CRC) | convenience function to calculate energy-adjusted variables using either density or residual method Calle | findSet (CRC) | Identify the minimal set of samples covering your features of interest (useful for determining samples for targeted MSMS) Calle | extractFeatures (CRC) | Extract instrument features from RAMClust features (could be same/similar as Elise's above) # Recommended functions | Package/Function | Version | What does it do | Who recommends | Date | | ---------------- | ------- | --------------- | -------------- | ---- | |VennDiagram | 1.7.0 | making Venn Diagram (check Calle's StatTools package in GitLab) | Stef | 2021-11-18 |caret | 6.0-90 | tuning alpha and lambda for elastic net (hasn't been tested)| Stef | 2021-11-18 Suggestions for combinations of scripts: - FindSet + inclusionListGen (Anton) - calcAdductMass + mzCalc (Anton) - Extract_RamClust + extractFeatures (Elise)