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add commented out definition for timsTOF support
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leoschwarz committed Jun 20, 2024
1 parent 901db0f commit cb53051
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24 changes: 24 additions & 0 deletions src/depiction_targeted_preproc/workflow/rules/rules_proc.smk
Original file line number Diff line number Diff line change
Expand Up @@ -22,6 +22,30 @@ rule proc_pick_peaks:
" --output-imzml-path {output.imzml[0]}"


# TODO currently needed for peak picked data, e.g. from timsTOF
#rule proc_pick_peaks:
# input:
# imzml=multiext("{sample}/corrected.original",".imzML",".ibd"),
# config="{sample}/pipeline_params.yml",
# output:
# imzml=multiext("{sample}/corrected.peaks_all",".imzML",".ibd"),
# shell:
# "python -m depiction_targeted_preproc.workflow.proc.pick_peaks "
# " --input-imzml-path {input.imzml[0]} --config-path {input.config} "
# " --output-imzml-path {output.imzml[0]}"
#
#
## TODO very experimental to be removed later again
#rule proc_filter_peaks:
# input:
# imzml=multiext("{sample}/corrected.peaks_all",".imzML",".ibd"),
# output:
# imzml=multiext("{sample}/corrected.peaks",".imzML",".ibd"),
# shell:
# "python -m depiction_targeted_preproc.workflow.proc.filter_peaks "
# " --input-imzml-path {input.imzml[0]} "
# " --output-imzml-path {output.imzml[0]}"

# TODO this should be solved more efficiently in the future, but for now it is solved by calling the script twice
rule proc_calibrate_remove_global_shift:
input:
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