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queueGenerator

shiny::shinyApp(ui = qg::.buildQgUI , server = qg::.buildQgServer) -> qg
## Have a lot of fun!
qg

Install:

https://gitlab.bfabric.org/proteomics/shiny-ms-apps-dockerized

sample input

container instument LC. position type area
36104 ASTRAL_1 MCLASS 1:A,1 vial. P
35270 EXPLORIS_3 VANQUISH 1:A1 vial. M
35117 TIMSTOF_1 EVOSEP 1:A1 plate P
xxx

Motivation:

anno 2010

  • fgcz naming convention,
  • injecting bfabric sample IDs and order IDs, ...
  • automatic linking to meta data in bfabric ...
  • on some point we want to have it in bfabric

Challenges

  • ((autoQC_user|QC)) - autoQC01, autoQC03, autoQC4; soon: ((autoQC05)), ((autoQC06)), ((autoQC07)), ((autoQC08))
  • blanc/clean/wash runs
  • plate, e.g., 96WP, / multiplate systems
  • LC systems: .eksigent(), .water(), ..., nanoElute() , .vanquish()
  • instrument control software, e.g., XCalibur, HyStar
  • (block) randomization run order / across plates
  • multi order
  • acquisition of a sample set multiple times (with different methods, eg. pos and neg mode)
  • DIL (metabolomics)
  • ...
  • Legacy code

Workflow/Pipeline

  1. user -> enters samples in bfabric
  2. qg queries bfabric sample of project
  3. ...

Package Organization

  • inst/extdata/instrument.csv - table instrument;area;system;lc
  • R/config.R - general configuration, e.g., Hystar driver, insertSample FUN
  • R/configProteomics.R - configuration for proteomics
  • R/configMetabolomics.R - configuration for metabolomics
  • R/lc-systems.R - LC systems mainly how to write the possitions

See also

REST

$ BFABRICPY_CONFIG_ENV=PRODUCTION bfabric_flask.py --port 5002

Next: functional test for all four use cases