-
Notifications
You must be signed in to change notification settings - Fork 0
/
detectModellingParameters.html
203 lines (150 loc) · 10.7 KB
/
detectModellingParameters.html
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
<!-- Generated by pkgdown: do not edit by hand -->
<!DOCTYPE html>
<html lang="en">
<head>
<meta charset="utf-8">
<meta http-equiv="X-UA-Compatible" content="IE=edge">
<meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>Detect modelling parameters — detectModellingParameters • metaboMisc</title>
<!-- jquery -->
<script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.4.1/jquery.min.js" integrity="sha256-CSXorXvZcTkaix6Yvo6HppcZGetbYMGWSFlBw8HfCJo=" crossorigin="anonymous"></script>
<!-- Bootstrap -->
<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.4.1/css/bootstrap.min.css" integrity="sha256-bZLfwXAP04zRMK2BjiO8iu9pf4FbLqX6zitd+tIvLhE=" crossorigin="anonymous" />
<script src="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.4.1/js/bootstrap.min.js" integrity="sha256-nuL8/2cJ5NDSSwnKD8VqreErSWHtnEP9E7AySL+1ev4=" crossorigin="anonymous"></script>
<!-- bootstrap-toc -->
<link rel="stylesheet" href="../bootstrap-toc.css">
<script src="../bootstrap-toc.js"></script>
<!-- Font Awesome icons -->
<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.12.1/css/all.min.css" integrity="sha256-mmgLkCYLUQbXn0B1SRqzHar6dCnv9oZFPEC1g1cwlkk=" crossorigin="anonymous" />
<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.12.1/css/v4-shims.min.css" integrity="sha256-wZjR52fzng1pJHwx4aV2AO3yyTOXrcDW7jBpJtTwVxw=" crossorigin="anonymous" />
<!-- clipboard.js -->
<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.6/clipboard.min.js" integrity="sha256-inc5kl9MA1hkeYUt+EC3BhlIgyp/2jDIyBLS6k3UxPI=" crossorigin="anonymous"></script>
<!-- headroom.js -->
<script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.11.0/headroom.min.js" integrity="sha256-AsUX4SJE1+yuDu5+mAVzJbuYNPHj/WroHuZ8Ir/CkE0=" crossorigin="anonymous"></script>
<script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.11.0/jQuery.headroom.min.js" integrity="sha256-ZX/yNShbjqsohH1k95liqY9Gd8uOiE1S4vZc+9KQ1K4=" crossorigin="anonymous"></script>
<!-- pkgdown -->
<link href="../pkgdown.css" rel="stylesheet">
<script src="../pkgdown.js"></script>
<meta property="og:title" content="Detect modelling parameters — detectModellingParameters" />
<meta property="og:description" content="Detect modelling parameters for Binalysis, MetaboProfile or Analysis S4 classes." />
<!-- mathjax -->
<script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/MathJax.js" integrity="sha256-nvJJv9wWKEm88qvoQl9ekL2J+k/RWIsaSScxxlsrv8k=" crossorigin="anonymous"></script>
<script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/config/TeX-AMS-MML_HTMLorMML.js" integrity="sha256-84DKXVJXs0/F8OTMzX4UR909+jtl4G7SPypPavF+GfA=" crossorigin="anonymous"></script>
<!--[if lt IE 9]>
<script src="https://oss.maxcdn.com/html5shiv/3.7.3/html5shiv.min.js"></script>
<script src="https://oss.maxcdn.com/respond/1.4.2/respond.min.js"></script>
<![endif]-->
</head>
<body data-spy="scroll" data-target="#toc">
<div class="container template-reference-topic">
<header>
<div class="navbar navbar-default navbar-fixed-top" role="navigation">
<div class="container">
<div class="navbar-header">
<button type="button" class="navbar-toggle collapsed" data-toggle="collapse" data-target="#navbar" aria-expanded="false">
<span class="sr-only">Toggle navigation</span>
<span class="icon-bar"></span>
<span class="icon-bar"></span>
<span class="icon-bar"></span>
</button>
<span class="navbar-brand">
<a class="navbar-link" href="../index.html">metaboMisc</a>
<span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="Released version">0.5.7</span>
</span>
</div>
<div id="navbar" class="navbar-collapse collapse">
<ul class="nav navbar-nav">
<li>
<a href="../index.html">
<span class="fas fa-home fa-lg"></span>
</a>
</li>
<li>
<a href="../reference/index.html">Reference</a>
</li>
<li>
<a href="../news/index.html">Changelog</a>
</li>
</ul>
<ul class="nav navbar-nav navbar-right">
<li>
<a href="https://github.com/jasenfinch/metaboMisc/">
<span class="fab fa-github fa-lg"></span>
</a>
</li>
</ul>
</div><!--/.nav-collapse -->
</div><!--/.container -->
</div><!--/.navbar -->
</header>
<div class="row">
<div class="col-md-9 contents">
<div class="page-header">
<h1>Detect modelling parameters</h1>
<small class="dont-index">Source: <a href='https://github.com/jasenfinch/metaboMisc/blob/master/R/detect.R'><code>R/detect.R</code></a></small>
<div class="hidden name"><code>detectModellingParameters.Rd</code></div>
</div>
<div class="ref-description">
<p>Detect modelling parameters for <code>Binalysis</code>, <code>MetaboProfile</code> or <code>Analysis</code> S4 classes.</p>
</div>
<pre class="usage"><span class='fu'>detectModellingParameters</span><span class='op'>(</span><span class='va'>x</span>, <span class='va'>...</span><span class='op'>)</span>
<span class='co'># S4 method for Binalysis</span>
<span class='fu'>detectModellingParameters</span><span class='op'>(</span><span class='va'>x</span><span class='op'>)</span>
<span class='co'># S4 method for MetaboProfile</span>
<span class='fu'>detectModellingParameters</span><span class='op'>(</span><span class='va'>x</span><span class='op'>)</span>
<span class='co'># S4 method for Analysis</span>
<span class='fu'>detectModellingParameters</span><span class='op'>(</span><span class='va'>x</span>, type <span class='op'>=</span> <span class='st'>"pre-treated"</span>, cls <span class='op'>=</span> <span class='st'>"class"</span><span class='op'>)</span></pre>
<h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a>Arguments</h2>
<table class="ref-arguments">
<colgroup><col class="name" /><col class="desc" /></colgroup>
<tr>
<th>x</th>
<td><p>S4 object of class <code>Binalysis</code>,<code>MetaboProfile</code> or <code>Analysis</code></p></td>
</tr>
<tr>
<th>...</th>
<td><p>arguments to pass to the appropriate method</p></td>
</tr>
<tr>
<th>type</th>
<td><p>detect parameters for <code>raw</code> or <code>pre-treated</code> data for <code>Analysis</code> class</p></td>
</tr>
<tr>
<th>cls</th>
<td><p>sample information column to use for modelling</p></td>
</tr>
</table>
<h2 class="hasAnchor" id="value"><a class="anchor" href="#value"></a>Value</h2>
<p>S4 object of class <code>AnalysisParameters</code></p>
<h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2>
<pre class="examples"><div class='input'><span class='co'>## Retrieve file paths and sample information for example data</span>
<span class='va'>files</span> <span class='op'><-</span> <span class='fu'>metaboData</span><span class='fu'>::</span><span class='fu'><a href='https://aberHRML.github.io/metaboData//reference/filePaths.html'>filePaths</a></span><span class='op'>(</span><span class='st'>'FIE-HRMS'</span>,<span class='st'>'BdistachyonEcotypes'</span><span class='op'>)</span><span class='op'>[</span><span class='fl'>1</span><span class='op'>:</span><span class='fl'>2</span><span class='op'>]</span>
<span class='va'>info</span> <span class='op'><-</span> <span class='fu'>metaboData</span><span class='fu'>::</span><span class='fu'><a href='https://aberHRML.github.io/metaboData//reference/runinfo.html'>runinfo</a></span><span class='op'>(</span><span class='st'>'FIE-HRMS'</span>,<span class='st'>'BdistachyonEcotypes'</span><span class='op'>)</span><span class='op'>[</span><span class='fl'>1</span><span class='op'>:</span><span class='fl'>2</span>,<span class='op'>]</span>
<span class='co'>## Perform spectral binning</span>
<span class='va'>analysis</span> <span class='op'><-</span> <span class='fu'>binneR</span><span class='fu'>::</span><span class='fu'><a href='https://aberHRML.github.io/binneR/reference/binneRlyse.html'>binneRlyse</a></span><span class='op'>(</span><span class='va'>files</span>,
<span class='va'>info</span>,
parameters <span class='op'>=</span> <span class='fu'>binneR</span><span class='fu'>::</span><span class='fu'><a href='https://aberHRML.github.io/binneR/reference/detectParameters.html'>detectParameters</a></span><span class='op'>(</span><span class='va'>files</span><span class='op'>)</span><span class='op'>)</span>
</div><div class='output co'>#> <span class='message'><span style='color: #0000BB;'>binneR</span> <span style='color: #BB0000;'>v2.5.3</span> Mon Sep 27 11:19:25 2021</span></div><div class='output co'>#> <span class='message'>________________________________________________________________________________</span></div><div class='output co'>#> <span class='message'>Scans: 5:14 </span></div><div class='output co'>#> <span class='message'>________________________________________________________________________________</span></div><div class='output co'>#> <span class='message'>Reading raw data</span></div><div class='output co'>#> <span class='message'>Gathering bins</span></div><div class='output co'>#> <span class='message'>Removing single scan events</span></div><div class='output co'>#> <span class='message'>Averaging intensities across scans</span></div><div class='output co'>#> <span class='message'>Calculating bin metrics</span></div><div class='output co'>#> <span class='message'>Calculating accurate m/z</span></div><div class='output co'>#> <span class='message'>Building intensity matrix</span></div><div class='output co'>#> <span class='message'>Gathering file headers</span></div><div class='output co'>#> </div><div class='output co'>#> <span class='message'><span style='color: #00BB00;'>Completed! </span>[2.2S]</span></div><div class='input'>
<span class='co'>## Detect modelling parameters</span>
<span class='va'>modelling_parameters</span> <span class='op'><-</span> <span class='fu'>detectModellingParameters</span><span class='op'>(</span><span class='va'>analysis</span><span class='op'>)</span>
<span class='va'>modelling_parameters</span>
</div><div class='output co'>#> <span style='color: #BBBB00;'>Parameters:</span>
#> </div></pre>
</div>
<div class="col-md-3 hidden-xs hidden-sm" id="pkgdown-sidebar">
<nav id="toc" data-toggle="toc" class="sticky-top">
<h2 data-toc-skip>Contents</h2>
</nav>
</div>
</div>
<footer>
<div class="copyright">
<p>Developed by Jasen Finch.</p>
</div>
<div class="pkgdown">
<p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.6.1.</p>
</div>
</footer>
</div>
</body>
</html>