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Inclusion List Builder Plug-In

Inclusion List Builder Plug-In. Inclusion List Builder. Goal: Create an easy to use lab tool for iterative construction of inclusion lists from MS level 1 and level 2 data to replace existing approaches that involve excessive manual intervention. (Iterative) Workflow. SpecArray/Superhirn

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Inclusion List Builder Plug-In

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  1. Inclusion List Builder Plug-In

  2. Inclusion List Builder Goal: Create an easy to use lab tool for iterative construction of inclusion lists from MS level 1 and level 2 data to replace existing approaches that involve excessive manual intervention.

  3. (Iterative) Workflow SpecArray/Superhirn output master table mzXML LC- MS LC- MS LC- MS pick, filter, align import filter, extract, export mzXML LC- MS/ MS LC- MS/ MS LC- MS/ MS LC- MS/ MS feed, run search pepXML inclusion lists map, update

  4. Implementation in Prequips • plug-in, i.e. uses Prequips infrastructure, e.g.: • data providers for mzXML and pepXML • employs Prequips’ meta information concept, a general method to quickly integrate new data types (here: master table) • inclusion lists are sets of master table features • filters used to select sets of features • further filtering possible after creation of inclusion list • filters associated with inclusion list correspond to a log or history • interactive, tabular views to represent master table and inclusion lists • before export inclusion list is segmented • export produces log file

  5. Important Developments • time correction (linear) • reference time in master table • predicted time in exported inclusion list • corrected time (adjusts peptide tr to reference time) • peptide mapping options • time and mass tolerance defined by user • time correction function defined by user • manual selection possible in case of multiple assignments • results to tab-delimited file • user interface • more settings for segmentation and mapping algorithms • comprehensive inclusion list feature view • variable font size for tables

  6. Example: Master Table master table view feature details filters

  7. Example: Inclusion List inclusion list view exported inclusion list log file segment info inclusion list overview (for a given master table)

  8. Example: Peptide Mapping master table with mapping information all mappings selected (and best) mapping

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