From 81430e17a0fe2349f865ada6625f513e1c816b25 Mon Sep 17 00:00:00 2001 From: Katherine Heal Date: Mon, 16 Dec 2024 15:01:43 -0800 Subject: [PATCH] Modify lipid documentation per docu squad's request --- docs/README_LCMS_LIPID.md | 14 +++++++++----- docs/index_lipid.html | 18 ++++++++++++------ docs/index_lipid.rst | 15 ++++++++++++--- 3 files changed, 33 insertions(+), 14 deletions(-) diff --git a/docs/README_LCMS_LIPID.md b/docs/README_LCMS_LIPID.md index 9814c61..04f7922 100644 --- a/docs/README_LCMS_LIPID.md +++ b/docs/README_LCMS_LIPID.md @@ -1,6 +1,10 @@ +github_url + +: + # Lipidomics Workflow (v1.0.0) -![](lipid_workflow_v1.png) +![](lipid_workflow_v1.svg) ## Workflow Overview @@ -60,7 +64,9 @@ The in-silico lipid spectra in PNNL\'s Metaref database are generated from the LipidBlast database (v68), found at . 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 @@ -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 () 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. diff --git a/docs/index_lipid.html b/docs/index_lipid.html index 952bc1d..de9741d 100644 --- a/docs/index_lipid.html +++ b/docs/index_lipid.html @@ -1,6 +1,13 @@ +
+
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

The liquid chromatography-mass spectrometry (LC-MS)-based lipidomics @@ -51,7 +58,9 @@

Database

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.

+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

  • An example dataset can be downloaded from here: Inputs
  • Cores (optional input)
      diff --git a/docs/index_lipid.rst b/docs/index_lipid.rst index 81ae927..f5ac25f 100644 --- a/docs/index_lipid.rst +++ b/docs/index_lipid.rst @@ -1,7 +1,15 @@ +: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 @@ -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 --------------- @@ -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.