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High-res peak overwriting with theoretical MS tool #487

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merged 12 commits into from
Feb 22, 2024
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wverastegui
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This PR overwrites theoretical M/Z annotations, supported MSP and MGF files. You can choose whether to include non-annotated peaks in the output. Includes test-data.

Closes #485

@wverastegui
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Accidentally committed this 0b196ad. How can it be discarded?.

@hechth hechth marked this pull request as ready for review February 22, 2024 08:34
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@hechth hechth merged commit 0cf8472 into master Feb 22, 2024
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high-res peak overwriting tool
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