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Modify lipid documentation per docu squad's request
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kheal committed Dec 16, 2024
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14 changes: 9 additions & 5 deletions docs/README_LCMS_LIPID.md
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github_url

: <https://github.com/microbiomedata/metaMS/blob/master/docs/index_lipid.rst>

# Lipidomics Workflow (v1.0.0)

![](lipid_workflow_v1.png)
![](lipid_workflow_v1.svg)

## Workflow Overview

Expand Down Expand Up @@ -60,7 +64,9 @@ The in-silico lipid spectra in PNNL\'s Metaref database are generated
from the LipidBlast database (v68), found at
<https://systemsomicslab.github.io/compms/msdial/main.html>. Note that
there is no retention time in the PNNL version of the database and the
workflow does not use retention time scoring.
workflow does not use retention time scoring. Currently the workflow
uses a local copy of the database, but the database is available by
request.

## Sample datasets

Expand Down Expand Up @@ -95,9 +101,7 @@ The following inputs are required (declared in the input json file):
- Workflow inputs
- CoreMS Parameter file (.toml)
- Scan Translator Parameter file (.toml)
- MetabRef configuration key (metabref.token). See MetabRef
documentation (<https://metabref.emsl.pnnl.gov/api>) for how to
generate a token.
- Path to local MetabRef database (.sqlite)
- Cores (optional input)
- How many cores to use for processing. Default is 1.

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18 changes: 12 additions & 6 deletions docs/index_lipid.html
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<dl>
<dt>github_url</dt>
<dd>
<p><a
href="https://github.com/microbiomedata/metaMS/blob/master/docs/index_lipid.rst">https://github.com/microbiomedata/metaMS/blob/master/docs/index_lipid.rst</a></p>
</dd>
</dl>
<h1 id="lipidomics-workflow-v1.0.0">Lipidomics Workflow (v1.0.0)</h1>
<figure>
<img src="lipid_workflow_v1.png" alt="lipid_workflow_v1.png" />
<img src="lipid_workflow_v1.svg" alt="lipid_workflow_v1.svg" />
</figure>
<h2 id="workflow-overview">Workflow Overview</h2>
<p>The liquid chromatography-mass spectrometry (LC-MS)-based lipidomics
Expand Down Expand Up @@ -51,7 +58,9 @@ <h3 id="database">Database</h3>
from the LipidBlast database (v68), found at <a
href="https://systemsomicslab.github.io/compms/msdial/main.html">https://systemsomicslab.github.io/compms/msdial/main.html</a>.
Note that there is no retention time in the PNNL version of the database
and the workflow does not use retention time scoring.</p>
and the workflow does not use retention time scoring. Currently the
workflow uses a local copy of the database, but the database is
available by request.</p>
<h2 id="sample-datasets">Sample datasets</h2>
<ul>
<li>An example dataset can be downloaded from here: <a
Expand Down Expand Up @@ -82,10 +91,7 @@ <h3 id="inputs">Inputs</h3>
<ul>
<li>CoreMS Parameter file (.toml)</li>
<li>Scan Translator Parameter file (.toml)</li>
<li>MetabRef configuration key (metabref.token). See MetabRef
documentation (<a
href="https://metabref.emsl.pnnl.gov/api">https://metabref.emsl.pnnl.gov/api</a>)
for how to generate a token.</li>
<li>Path to local MetabRef database (.sqlite)</li>
</ul></li>
<li>Cores (optional input)
<ul>
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15 changes: 12 additions & 3 deletions docs/index_lipid.rst
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:github_url: https://github.com/microbiomedata/metaMS/blob/master/docs/index_lipid.rst

..
Note: The above `github_url` field is used to force the target of the "Edit on GitHub" link
to be the specified URL. That makes it so the link will work, regardless of the Sphinx
site the file is incorporated into. You can learn more about the `github_url` field at:
https://sphinx-rtd-theme.readthedocs.io/en/stable/configuring.html#confval-github_url
Lipidomics Workflow (v1.0.0)
============================

.. figure:: lipid_workflow_v1.png
.. figure:: lipid_workflow_v1.svg
:alt: diagram of lipid workflow

Workflow Overview
Expand Down Expand Up @@ -60,7 +68,8 @@ Database
(https://metabref.emsl.pnnl.gov/)

The in-silico lipid spectra in PNNL's Metaref database are generated from the LipidBlast database (v68), found at https://systemsomicslab.github.io/compms/msdial/main.html.
Note that there is no retention time in the PNNL version of the database and the workflow does not use retention time scoring.
Note that there is no retention time in the PNNL version of the database and the workflow does not use retention time scoring.
Currently the workflow uses a local copy of the database, but the database is available by request.

Sample datasets
---------------
Expand Down Expand Up @@ -95,7 +104,7 @@ The following inputs are required (declared in the input json file):
- Workflow inputs
- CoreMS Parameter file (.toml)
- Scan Translator Parameter file (.toml)
- MetabRef configuration key (metabref.token). See MetabRef documentation (https://metabref.emsl.pnnl.gov/api) for how to generate a token.
- Path to local MetabRef database (.sqlite)
- Cores (optional input)
- How many cores to use for processing. Default is 1.

Expand Down

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