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Merge pull request #4 from Noble-Lab/updates-v0.0.3
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Add first Vignettes
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donnyyy777 authored Dec 16, 2020
2 parents fbbda04 + d829ad0 commit 884e43a
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17 changes: 9 additions & 8 deletions README.md
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Confidence Estimation for Mass Spectrometry Proteomics

**crema** is a Python package that implements various methods to estimate false discovery rates (FDR) of peptide
detection in mass spectrometry proteomics experiments. Although there are many ways to estimate FDR, crema focuses on
methods that rely on the concept of target decoy competition. The sole purposes of crema is to do this, and to do this
well. As a result, we developed crema to be lightweight and flexible. It has very minimal dependencies and supports a
wide range of input and output formats. On top of that, it is extremely simple to use.
**crema** is a Python package that implements various methods to estimate false discovery rates (FDR)
in mass spectrometry proteomics experiments. crema focuses on
methods that rely on the concept of "target-decoy competition." The sole purposes of crema is to do decoy-based FDR
estimation, and to do it well. As a result, crema is lightweight and flexible. It has minimal dependencies and
supports a wide range of input and output formats. On top of that, it is extremely simple to use.

For more information, check out our
[documentation](https://crema-ms.readthedocs.io).
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interpreter and affords greater flexibility:

```Python
>>> import crema-ms
>>> psms = crema.read_file(["data/multi_target.csv", "data/multi_decoy.csv"])
>>> import crema
>>> input_files = ["data/multi_target.csv", "data/multi_decoy.csv"]
>>> psms = crema.read_file(input_files)
>>> results = crema.calculate_tdc(psms)
>>> results.write_csv("save_to_here.txt")
>>> results.write_file(ouput_dir="example_output_dir")
```

Check out our [documentation](hhttps://crema-ms.readthedocs.io) for more details
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4 changes: 2 additions & 2 deletions crema/params.py
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f"crema version {crema.__version__}\n\n"
"Written by Donavan See ([email protected])\n\n"
"Department of Genome Sciences at the University of Washington\n\n"
"Official code website: <link tbd>\n\n"
"More documentation and examples: <link tbd>"
"Official code website: https://github.com/Noble-Lab/crema\n\n"
"More documentation and examples: https://crema-ms.readthedocs.io/"
)

parser = argparse.ArgumentParser(
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10,910 changes: 10,910 additions & 0 deletions data/example_psms_target.txt

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