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update package documents
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xieguigang committed Jun 17, 2024
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Expand Up @@ -38,6 +38,7 @@ <h3>Declare</h3>
basePixelY: integer;
# the average spatial density
density: double;
entropy: double;
# the max intensity value of current ion across all pixels
maxIntensity: double;
# Moran-I index value of current ion layer geometry data
Expand Down Expand Up @@ -65,6 +66,8 @@ <h3>Declare</h3>
Q2Intensity: double;
# the intensity value of quartile Q3 level(75% quantile)
Q3Intensity: double;
rsd: double;
sparsity: double;
}
</code>
</pre>
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Expand Up @@ -30,6 +30,7 @@ <h3>Declare</h3>
<code id="clr_ts">
# namespace BioNovoGene.Analytical.MassSpectrometry.SingleCells
export class MatrixReader {
dim_size: <a href="/vignettes/clr/System/Drawing/Size.html">Size</a>;
# number of the ion features
featureSize: integer;
# A numeric vector of the ion features m/z
Expand All @@ -47,6 +48,7 @@ <h3>Declare</h3>
<h3>.NET clr type reference tree</h3>

<ol>
<li>use by <i>property</i> member <code>dim_size</code>: <a href="/vignettes/clr/System/Drawing/Size.html">Size</a></li>
<li>use by <i>property</i> member <code>matrixType</code>: <a href="/vignettes/clr/BioNovoGene/Analytical/MassSpectrometry/Assembly/mzData/mzWebCache/FileApplicationClass.html">FileApplicationClass</a></li>
</ol>

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Expand Up @@ -34,15 +34,20 @@ <h3>Declare</h3>
baseCell: string;
# the cell numbers that contains this ion feature.
cells: integer;
entropy: double;
# the max intensity value of current ion feature.
maxIntensity: double;
# the ion feature m/z value
mz: double;
mz_error: string;
mzmax: double;
mzmin: double;
Q1Intensity: double;
Q2Intensity: double;
Q3Intensity: double;
# RSD value of the intensity value of current ion feature across multiple cells
RSD: double;
sparsity: double;
}
</code>
</pre>
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92 changes: 92 additions & 0 deletions vignettes/clr/BioNovoGene/BioDeep/Chemistry/MetaLib/RefMet.html
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<!DOCTYPE html>
<html>

<head>
<title>BioNovoGene.BioDeep.Chemistry.MetaLib.RefMet</title>
<meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0, user-scalable=yes" />
<link rel="stylesheet" type="text/css" href="https://mzkit.org/assets/js/page.css">
</head>

<body>
<div class="container">

<table style="width: 100%;">
<tr>
<td>RefMet {BioNovoGene.BioDeep.Chemistry.MetaLib}</td>
<td style="text-align: right;">.NET clr documentation</td>
</tr>
</table>

<h2>RefMet</h2>

<h3>Description</h3>

<p>RefMet: A Reference set of Metabolite names</p>

<p>RefMet Naming Conventions

The names used in RefMet are generally based on common, officially accepted terms and
incorporate notations which are appropriate for the type of analytical technique used.
In general, high-throughput untargeted MS experiments are not capable of deducing
stereochemistry, double bond position/geometry and sn position (for glycerolipids/
lycerophospholipids). Secondly, the type of MS technique employed, as well as the mass
accuacy of the instrument will produce identifications at different levels of detail.
For example, MS/MS methods are capable of identifying acyl chain substituents in lipids
(e.g. PC 16:0/20:4) whereas MS methods only using precursor ion information might report
these ions as "sum-composition" species (e.g. PC 36:4). RefMet covers both types of
notations in an effort to enable data-sharing and comparative analysis of metabolomics
data, using an analytical chemistry-centric approach.

The "sum-composition" lipid species indicate the number Of carbons And number Of "double
bond equivalents" (DBE), but Not chain positions Or Double bond regiochemistry And geometry.
The concept Of a Double bond equivalent unites a range Of chemical functionality which
gives rise To isobaric features by mass spectometry. For example a chain containing a ring
results In loss Of 2 hydrogen atoms (compared To a linear Structure) And thus has 1 DBE
since the mass And molecular formula Is identical To a linear Structure With one Double bond.
Similarly, conversion Of a hydroxyl group To ketone results In loss Of 2 hydrogen atoms,
therefore the ketone Is assigned 1 DBE. Where applicable, the number Of oxygen atoms Is added
To the abbreviation, separated by a semi-colon. Oxygen atoms In the Class-specific functional
group (e.g. the carboxylic acid group For fatty acids Or the phospholcholine group For PC)
are excluded. In the Case Of sphingolipids, all oxygen atoms apart from the amide oxygen are
included, In order To discrminate, For example, between 1-deoxyceramides (;O), ceramides (;O2)
And phytoceramides (;O3).

Some notes pertaining To different metabolite classes are outlined below.</p>

<h3>Declare</h3>

<pre>
<code id="clr_ts">
# namespace BioNovoGene.BioDeep.Chemistry.MetaLib
export class RefMet {
exactmass: string;
formula: string;
inchi_key: string;
main_class: string;
pubchem_cid: string;
refmet_name: string;
smiles: string;
sub_class: string;
super_class: string;
}
</code>
</pre>

<h3>.NET clr type reference tree</h3>

this clr type has no other .net clr type reference.


<hr />
<div style="text-align: center;">[Package <em>{$package}</em> version {$version} <a
href="../{$package}.html">Index</a>]
</div>
</div>
</body>

<script type="text/javascript" src="https://mzkit.org/assets/js/R_syntax.js"></script>
<script type="text/javascript" src="https://mzkit.org/assets/js/highlights.js"></script>
<script type="text/javascript">r_highlights("clr_ts");</script>

</html>
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Expand Up @@ -33,6 +33,7 @@ <h3>Declare</h3>
category: <a href="/vignettes/clr/SMRUCC/genomics/Assembly/KEGG/DBGET/BriteHEntry/BriteTerm.html">BriteTerm[]</a>;
# the metabolite common names
commonNames: string;
# the database cross reference links
DbLinks: <a href="/vignettes/clr/SMRUCC/genomics/ComponentModel/DBLinkBuilder/DBLink.html">DBLink[]</a>;
# KEGG compound ID: <code>cpd:C\d+</code>
entry: string;
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12 changes: 12 additions & 0 deletions vignettes/mzkit/mzkit/SingleCells.html
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Expand Up @@ -173,6 +173,18 @@ <h1>SingleCells</h1>
<a href="./SingleCells/spatial_labels.html">spatial_labels</a>
</td>
<td><p>get the labels based on the spatial information of each spot</p></td>
</tr>
<tr>
<td id="singleCell_labels">
<a href="./SingleCells/singleCell_labels.html">singleCell_labels</a>
</td>
<td></td>
</tr>
<tr>
<td id="total_peaksum">
<a href="./SingleCells/total_peaksum.html">total_peaksum</a>
</td>
<td><p>do matrix data normalization via total peak sum</p></td>
</tr></tbody>
</table>
</div>
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67 changes: 67 additions & 0 deletions vignettes/mzkit/mzkit/SingleCells/singleCell_labels.html
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<!DOCTYPE html>
<html>

<head>
<title>singleCell_labels</title>
<meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0, user-scalable=yes" />
<link rel="stylesheet" type="text/css" href="https://mzkit.org/assets/js/page.css">
</head>

<body>
<div class="container">

<table style="width: 100%;">
<tr>
<td>singleCell_labels {SingleCells}</td>
<td style="text-align: right;">R Documentation</td>
</tr>
</table>

<h2>singleCell_labels</h2>

<h3>Description</h3>

singleCell_labels

<h3>Usage</h3>

<div style="width: 100%; padding-left: 3%; color: black;">
<pre><code class='language-R' style="color: black; font-weight:normal;"><strong>singleCell_labels</strong>(<i>x</i>);</code></pre>
</div>

<h3>Arguments</h3>

<table>

</table>


<h3 style="display: none;">Details</h3>



<h3 style="display: block">Authors</h3>

BioNovoGene

<h3>Value</h3>

this function returns data object of type string.<h4>clr value class</h4><ul><li>string</li></ul>

<h3 style="display: none;">Examples</h3>



<hr />
<div style="text-align: center;">[Package <em>SingleCells</em> version 1.0.0.0 <a
href="../SingleCells.html">Index</a>]
</div>
</div>
</body>

<script type="text/javascript" src="https://mzkit.org/assets/js/R_syntax.js"></script>
<script type="text/javascript" src="https://mzkit.org/assets/js/highlights.js"></script>
<script type="text/javascript">r_highlights("example_r");</script>

</html>
75 changes: 75 additions & 0 deletions vignettes/mzkit/mzkit/SingleCells/total_peaksum.html
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<!DOCTYPE html>
<html>

<head>
<title>do matrix data normalization via total peak sum</title>
<meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0, user-scalable=yes" />
<link rel="stylesheet" type="text/css" href="https://mzkit.org/assets/js/page.css">
</head>

<body>
<div class="container">

<table style="width: 100%;">
<tr>
<td>total_peaksum {SingleCells}</td>
<td style="text-align: right;">R Documentation</td>
</tr>
</table>

<h2>do matrix data normalization via total peak sum</h2>

<h3>Description</h3>



<h3>Usage</h3>

<div style="width: 100%; padding-left: 3%; color: black;">
<pre><code class='language-R' style="color: black; font-weight:normal;"><strong>total_peaksum</strong>(<i>x</i>,
<i>scale</i> = <span style='color: green;'>1000000</span>);</code></pre>
</div>

<h3>Arguments</h3>

<table>

<dt>x</dt>
<dd><p>[as <a href="/vignettes/clr/BioNovoGene/Analytical/MassSpectrometry/SingleCells/Deconvolute/MzMatrix.html">MzMatrix</a>]</p></dd>


<dt>scale</dt>
<dd><p>[as double]</p></dd>

</table>


<h3 style="display: none;">Details</h3>



<h3 style="display: block">Authors</h3>

BioNovoGene

<h3>Value</h3>

this function returns data object of type <a href="/vignettes/clr/BioNovoGene/Analytical/MassSpectrometry/SingleCells/Deconvolute/MzMatrix.html">MzMatrix</a>.<h4>clr value class</h4><ul><li><a href="/vignettes/clr/BioNovoGene/Analytical/MassSpectrometry/SingleCells/Deconvolute/MzMatrix.html">MzMatrix</a></li></ul>

<h3 style="display: none;">Examples</h3>



<hr />
<div style="text-align: center;">[Package <em>SingleCells</em> version 1.0.0.0 <a
href="../SingleCells.html">Index</a>]
</div>
</div>
</body>

<script type="text/javascript" src="https://mzkit.org/assets/js/R_syntax.js"></script>
<script type="text/javascript" src="https://mzkit.org/assets/js/highlights.js"></script>
<script type="text/javascript">r_highlights("example_r");</script>

</html>
12 changes: 12 additions & 0 deletions vignettes/mzkit/mzkit/massbank.html
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Expand Up @@ -86,6 +86,12 @@ <h1>massbank</h1>
<a href="/vignettes/clr/BioNovoGene/BioDeep/Chemistry/MetaLib/Models/MetaLib.html">metalib: MetaLib</a>
</td>
<td><p><code>chebi/kegg/pubchem/HMDB/metlin</code>的物质注释信息整合库,这个数据库只要为了生成编号,名称之类的注释信息而构建的</p></td>
</tr>
<tr>
<td id="refmet">
<a href="/vignettes/clr/BioNovoGene/BioDeep/Chemistry/MetaLib/RefMet.html">refmet: RefMet</a>
</td>
<td><p>RefMet: A Reference set of Metabolite names</p></td>
</tr></tbody>
</table>
<br />
Expand All @@ -104,6 +110,12 @@ <h1>massbank</h1>
</td>
<td><p>Extract the annotation metadata from the MONA comment data</p></td>
</tr>
<tr>
<td id="read.RefMet">
<a href="./massbank/read.RefMet.html">read.RefMet</a>
</td>
<td><p>read the csv table of refmet</p></td>
</tr>
<tr>
<td id="read.MoNA">
<a href="./massbank/read.MoNA.html">read.MoNA</a>
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