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queueGenerator (qg)

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

Sample use cases

cont instument LC. system position type area test
36104 ASTRAL_1 MCLASS XC SII 1:A,1 vial P
35270 EXPLORIS_3 VANQUISH 1:A1 vial M git
35117 TIMSTOF_1 EVOSEP HyStar 1:A1 plate P
36946 EXPLORIS_2 EVOSEP. 1:A1 vial P
37142 EXPLORIS_2 EVOSEP 1:A1 plate 479[34] P
37146 EXPLORIS_2 EVOSEP Chronos 1:A1 vial P
28073 ASTRAL VANQUISH P
xxx EXPLORIS_2 MCLASS XC LCdevs vial P

Usage

  1. install python3 bfabricPy package
uv tool install bfabric-scripts   
  1. run the SOAP REST Proxy
BFABRICPY_CONFIG_ENV=FGCZSTABLE  bfabric_flask.py

set HOME .Renviron

login="$USER"
webservicepassword="eXXXe3XXX55dc39eXXXaeb763ec2XXXX"
bfabricposturl="http://127.0.0.1:5000/"

install

devtools::install_github("fgcz/qg")

and use the queue generator

shiny::shinyApp(ui = qg::.buildQgUI , server = qg::.buildQgServer) -> qg
qg

## Have a lot of fun!

Read how to use it on the command line:

browserViewer("qg")

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MS queue generator

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