From ec1487f0f2cef32d44b0c6ce94a6f1b4f65a79d3 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Thu, 6 Oct 2016 08:56:45 +0200 Subject: Remove staticdocs from old location --- inst/web/synthetic_data_for_UBA.html | 153 ----------------------------------- 1 file changed, 153 deletions(-) delete mode 100644 inst/web/synthetic_data_for_UBA.html (limited to 'inst/web/synthetic_data_for_UBA.html') diff --git a/inst/web/synthetic_data_for_UBA.html b/inst/web/synthetic_data_for_UBA.html deleted file mode 100644 index 0320a848..00000000 --- a/inst/web/synthetic_data_for_UBA.html +++ /dev/null @@ -1,153 +0,0 @@ - - - - -synthetic_data_for_UBA_2014. mkin 0.9.44.9000 - - - - - - - - - - - - - - - -
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- Synthetic datasets for one parent compound with two metabolites -

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Usage

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synthetic_data_for_UBA_2014
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Description

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The 12 datasets were generated using four different models and three different - variance components. The four models are either the SFO or the DFOP model with either - two sequential or two parallel metabolites.

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Variance component 'a' is based on a normal distribution with standard deviation of 3, - Variance component 'b' is also based on a normal distribution, but with a standard deviation of 7. - Variance component 'c' is based on the error model from Rocke and Lorenzato (1995), with the - minimum standard deviation (for small y values) of 0.5, and a proportionality constant of 0.07 - for the increase of the standard deviation with y.

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Initial concentrations for metabolites and all values where adding the variance component resulted - in a value below the assumed limit of detection of 0.1 were set to NA.

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As an example, the first dataset has the title SFO_lin_a and is based on the SFO model - with two sequential metabolites (linear pathway), with added variance component 'a'.

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Compare also the code in the example section to see the degradation models.

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Format

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A list containing datasets in the form internally used by the 'gmkin' package. - The list has twelfe components. Each of the components is one dataset that has, - among others, the following components -

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title
The name of the dataset, e.g. SFO_lin_a

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data
A data frame with the data in the form expected by mkinfit

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Source

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Ranke (2014) Prüfung und Validierung von Modellierungssoftware als Alternative - zu ModelMaker 4.0, Umweltbundesamt Projektnummer 27452

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Rocke, David M. und Lorenzato, Stefan (1995) A two-component model for - measurement error in analytical chemistry. Technometrics 37(2), 176-184.

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Examples

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## Not run: 
-# m_synth_SFO_lin <- mkinmod(parent = list(type = "SFO", to = "M1"),
-#                            M1 = list(type = "SFO", to = "M2"),
-#                            M2 = list(type = "SFO"), use_of_ff = "max")
-# 
-# 
-# m_synth_SFO_par <- mkinmod(parent = list(type = "SFO", to = c("M1", "M2"),
-#                                          sink = FALSE),
-#                            M1 = list(type = "SFO"),
-#                            M2 = list(type = "SFO"), use_of_ff = "max")
-# 
-# m_synth_DFOP_lin <- mkinmod(parent = list(type = "DFOP", to = "M1"),
-#                             M1 = list(type = "SFO", to = "M2"),
-#                             M2 = list(type = "SFO"), use_of_ff = "max")
-# 
-# m_synth_DFOP_par <- mkinmod(parent = list(type = "DFOP", to = c("M1", "M2"),
-#                                           sink = FALSE),
-#                             M1 = list(type = "SFO"),
-#                             M2 = list(type = "SFO"), use_of_ff = "max")
-# 
-# mkinfit(m_synth_SFO_lin, synthetic_data_for_UBA_2014[[1]]$data)
-# ## End(Not run)
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