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examples/run.sh

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#!/usr/bin/env bash
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#Prcoess scans
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python amimspy process-scans --input ../tests/data/testData1.mzML ../tests/data/testData2.mzML \
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amimspy process-scans --input ../tests/data/testData1.mzML ../tests/data/testData2.mzML \
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--metascans ../tests/data/testData1.txt ../tests/data/testData2.txt --output ../tests/results/peaklists \
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--failed-wells ../tests/results/failed_wells.txt --processed_scans ../tests/results/processed_scans.txt \
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--snr-threshold 3 --min-scans 2 --min-fraction 0.5 --ppm 20 --metalist ../tests/data/SampleMetadata.txt
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# hdf5 peaklist to txt
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python amimspy hdf5-pls-to-txt --input ../tests/results/peaklists.hdf5 --output ../tests/results
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amimspy hdf5-pls-to-txt --input ../tests/results/peaklists.hdf5 --output ../tests/results
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#Prcoess samples
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python amimspy process-samples --input ../tests/results/peaklists.hdf5 --output ../tests/results/peakmatrix.hdf5 \
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amimspy process-samples --input ../tests/results/peaklists.hdf5 --output ../tests/results/peakmatrix.hdf5 \
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--ppm 20 --min-fraction 0.5
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# hdf5 peak matrix to txt
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python amimspy hdf5-pm-to-txt --input ../tests/results/peakmatrix.hdf5 --output ../tests/results/peakmatrix.txt \
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amimspy hdf5-pm-to-txt --input ../tests/results/peakmatrix.hdf5 --output ../tests/results/peakmatrix.txt \
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--attribute_name intensity --representation-samples columns --comprehensive

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