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
|
<!DOCTYPE html>
<html lang="en">
<head>
<meta charset="utf-8">
<title>schaefer07_complex_case. mkin 0.9.42</title>
<meta name="viewport" content="width=device-width, initial-scale=1.0">
<meta name="author" content="">
<link href="css/bootstrap.css" rel="stylesheet">
<link href="css/bootstrap-responsive.css" rel="stylesheet">
<link href="css/highlight.css" rel="stylesheet">
<link href="css/staticdocs.css" rel="stylesheet">
<!--[if lt IE 9]>
<script src="http://html5shim.googlecode.com/svn/trunk/html5.js"></script>
<![endif]-->
<script type="text/x-mathjax-config">
MathJax.Hub.Config({
tex2jax: {
inlineMath: [ ['$','$'], ["\\(","\\)"] ],
processEscapes: true
}
});
</script>
<script type="text/javascript"
src="http://cdn.mathjax.org/mathjax/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML">
</script>
</head>
<body>
<div class="navbar">
<div class="navbar-inner">
<div class="container">
<a class="brand" href="#">mkin 0.9.42</a>
<div class="nav">
<ul class="nav">
<li><a href="index.html"><i class="icon-home icon-white"></i> Index</a></li>
</ul>
</div>
</div>
</div>
</div>
<div class="container">
<header>
</header>
<h1>
Metabolism data set used for checking the software quality of KinGUI
</h1>
<div class="row">
<div class="span8">
<h2>Usage</h2>
<pre><div>data(schaefer07_complex_case)</div></pre>
<div class="Description">
<h2>Description</h2>
<p>This dataset was used for a comparison of KinGUI and ModelMaker to check the
software quality of KinGUI in the original publication (Schäfer et al., 2007).
The results from the fitting are also included.</p>
</div>
<div class="Format">
<h2>Format</h2>
<p>The data set is a data frame with 8 observations on the following 6 variables.
<dl>
<dt><code>time</code></dt><dd>a numeric vector</dd></p>
<p><dt><code>parent</code></dt><dd>a numeric vector</dd></p>
<p><dt><code>A1</code></dt><dd>a numeric vector</dd></p>
<p><dt><code>B1</code></dt><dd>a numeric vector</dd></p>
<p><dt><code>C1</code></dt><dd>a numeric vector</dd></p>
<p><dt><code>A2</code></dt><dd>a numeric vector</dd></p>
<p></dl></p>
<p>The results are a data frame with 14 results for different parameter values</p>
</div>
<div class="References">
<h2>References</h2>
<p>Schäfer D, Mikolasch B, Rainbird P and Harvey B (2007). KinGUI: a new kinetic
software tool for evaluations according to FOCUS degradation kinetics. In: Del
Re AAM, Capri E, Fragoulis G and Trevisan M (Eds.). Proceedings of the XIII
Symposium Pesticide Chemistry, Piacenza, 2007, p. 916-923.</p>
</div>
<h2 id="examples">Examples</h2>
<pre class="examples"><div class='input'>data <- mkin_wide_to_long(schaefer07_complex_case, time = "time")
model <- mkinmod(
parent = list(type = "SFO", to = c("A1", "B1", "C1"), sink = FALSE),
A1 = list(type = "SFO", to = "A2"),
B1 = list(type = "SFO"),
C1 = list(type = "SFO"),
A2 = list(type = "SFO"), use_of_ff = "max")
</div>
<strong class='message'>Successfully compiled differential equation model from auto-generated C code.</strong>
<div class='input'>## Not run: mkinfit(model, data, plot=TRUE)
</div></pre>
</div>
<div class="span4">
<!-- <ul>
<li>schaefer07_complex_case</li><li>schaefer07_complex_results</li>
</ul>
<ul>
<li>datasets</li>
</ul> -->
</div>
</div>
<footer>
<p class="pull-right"><a href="#">Back to top</a></p>
<p>Built by <a href="https://github.com/hadley/staticdocs">staticdocs</a>. Styled with <a href="http://twitter.github.com/bootstrap">bootstrap</a>.</p>
</footer>
</div>
</body>
</html>
|
