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<title>mkin/inst, branch stackoverflow_71340826</title>
<subtitle>Fitting kinetic models to chemical degradation data (also on github)</subtitle>
<id>https://cgit.jrwb.de/mkin/atom?h=stackoverflow_71340826</id>
<link rel='self' href='https://cgit.jrwb.de/mkin/atom?h=stackoverflow_71340826'/>
<link rel='alternate' type='text/html' href='https://cgit.jrwb.de/mkin/'/>
<updated>2021-09-15T09:22:36Z</updated>
<entry>
<title>Correction of the dimethenamid dataset</title>
<updated>2021-09-15T09:22:36Z</updated>
<author>
<name>Johannes Ranke</name>
<email>jranke@uni-bremen.de</email>
</author>
<published>2021-09-15T09:22:36Z</published>
<link rel='alternate' type='text/html' href='https://cgit.jrwb.de/mkin/commit/?id=35eaf4f7bac89b249ff488e4e3021d4226ed9e23'/>
<id>urn:sha1:35eaf4f7bac89b249ff488e4e3021d4226ed9e23</id>
<content type='text'>
The data given in previous mkin versions for "Borstel 2" (Staudenmaier
2013) are in fact a subset of the "Borstel 1" data, with the "Borstel 2"
data simply being further analysed for isomer composition by
Staudenmaier (2013).

While correcting this, the URL of the RAR published by EFSA was
updated, as the EFSA Register of Questions was replaced by the
Open EFSA portal.

This also affects the recent publication in "Environments" [1], where
these two datasets were pooled. However, the influence on the final
results can be expected to be minimal. Out of the 16 observations for
the Borstel soil, five were erroneously duplicated which just changes
the weight of the different sampling points and modifies the variance.
The conclusions of the publication are qualitative and are not
considered to be affected.

[1] https://doi.org/10.3390/environments8080071
</content>
</entry>
<entry>
<title>Dimethenamid data, normalisation options</title>
<updated>2020-12-19T11:23:08Z</updated>
<author>
<name>Johannes Ranke</name>
<email>jranke@uni-bremen.de</email>
</author>
<published>2020-12-19T11:23:08Z</published>
<link rel='alternate' type='text/html' href='https://cgit.jrwb.de/mkin/commit/?id=e25f0194736a090914c10a9f374946c0b89adc5b'/>
<id>urn:sha1:e25f0194736a090914c10a9f374946c0b89adc5b</id>
<content type='text'>
</content>
</entry>
<entry>
<title>Fixes for f_time_norm_focus, still very fragile...</title>
<updated>2020-11-13T15:49:13Z</updated>
<author>
<name>Johannes Ranke</name>
<email>jranke@uni-bremen.de</email>
</author>
<published>2020-11-13T15:32:18Z</published>
<link rel='alternate' type='text/html' href='https://cgit.jrwb.de/mkin/commit/?id=572e435b2394ef7092a78d0eebbbeda88b66a0a8'/>
<id>urn:sha1:572e435b2394ef7092a78d0eebbbeda88b66a0a8</id>
<content type='text'>
</content>
</entry>
<entry>
<title>Use preprocessed data for 2,4-D, update docs</title>
<updated>2020-11-12T10:57:37Z</updated>
<author>
<name>Johannes Ranke</name>
<email>jranke@uni-bremen.de</email>
</author>
<published>2020-11-12T10:57:37Z</published>
<link rel='alternate' type='text/html' href='https://cgit.jrwb.de/mkin/commit/?id=d1a94f2bb3742f50f3dd98a03d5fec338dd0cf65'/>
<id>urn:sha1:d1a94f2bb3742f50f3dd98a03d5fec338dd0cf65</id>
<content type='text'>
</content>
</entry>
<entry>
<title>mkindsg class to hold groups of datasets</title>
<updated>2020-11-12T10:11:03Z</updated>
<author>
<name>Johannes Ranke</name>
<email>jranke@uni-bremen.de</email>
</author>
<published>2020-11-12T10:04:45Z</published>
<link rel='alternate' type='text/html' href='https://cgit.jrwb.de/mkin/commit/?id=7b807680b66269ff911df137f56e26775d84e283'/>
<id>urn:sha1:7b807680b66269ff911df137f56e26775d84e283</id>
<content type='text'>
- D24_2014 dataset on aerobic soil degradation of 2,4-D from the EU
  assessment as mkindsg object with metadata
- f_time_norm_focus() to do time-step normalisation using the FOCUS
  method
- focus_soil_moisture data with default moisture contents at pF1,
  pF 2 and pF 2.5 for USDA soil types from FOCUS GW guidance
- Dataset generation scripts in inst/dataset_generation
- Depend on R &gt;= 2.15.1 in order to facilitate the use of
  utils::globalVariables()
</content>
</entry>
<entry>
<title>Improve documentation, now using a spell checker</title>
<updated>2020-05-12T08:58:25Z</updated>
<author>
<name>Johannes Ranke</name>
<email>jranke@uni-bremen.de</email>
</author>
<published>2020-05-12T08:58:25Z</published>
<link rel='alternate' type='text/html' href='https://cgit.jrwb.de/mkin/commit/?id=01284e456dc6df8e064a7a42f194fcd81d9ce7a1'/>
<id>urn:sha1:01284e456dc6df8e064a7a42f194fcd81d9ce7a1</id>
<content type='text'>
</content>
</entry>
<entry>
<title>Support summarizing older fits</title>
<updated>2019-07-08T14:30:55Z</updated>
<author>
<name>Johannes Ranke</name>
<email>jranke@uni-bremen.de</email>
</author>
<published>2019-07-08T14:30:55Z</published>
<link rel='alternate' type='text/html' href='https://cgit.jrwb.de/mkin/commit/?id=67d032fb345f8e0afc7628d7525da5b7f0a98f79'/>
<id>urn:sha1:67d032fb345f8e0afc7628d7525da5b7f0a98f79</id>
<content type='text'>
generated with mkin &lt; 0.9.49.5
</content>
</entry>
<entry>
<title>Prepare for CRAN release</title>
<updated>2019-05-02T15:51:07Z</updated>
<author>
<name>Johannes Ranke</name>
<email>jranke@uni-bremen.de</email>
</author>
<published>2019-05-02T15:07:55Z</published>
<link rel='alternate' type='text/html' href='https://cgit.jrwb.de/mkin/commit/?id=a4ca3451f1b5c37d10c6a41cb18a99b1631e8aa2'/>
<id>urn:sha1:a4ca3451f1b5c37d10c6a41cb18a99b1631e8aa2</id>
<content type='text'>
- Skip long running tests on CRAN as well to avoid timeout on winbuilder
- Don't install benchmark results in the package, they are only needed
in the git repository
- Don't run example in man/add_err.Rd as it takes &gt; 10 s on winbuilder
- Rebuild docs
</content>
</entry>
<entry>
<title>Better initials for error model parameters</title>
<updated>2019-05-02T11:17:05Z</updated>
<author>
<name>Johannes Ranke</name>
<email>jranke@uni-bremen.de</email>
</author>
<published>2019-05-02T11:17:05Z</published>
<link rel='alternate' type='text/html' href='https://cgit.jrwb.de/mkin/commit/?id=70591022c07f0e8fb4dd67789b7c8d78af8ebc18'/>
<id>urn:sha1:70591022c07f0e8fb4dd67789b7c8d78af8ebc18</id>
<content type='text'>
- Also make it possible to specify initial values for error model
parameters.
- Run tests
- Rebuild docs
</content>
</entry>
<entry>
<title>Adapt tests, vignettes and examples</title>
<updated>2019-04-10T08:17:35Z</updated>
<author>
<name>Johannes Ranke</name>
<email>jranke@uni-bremen.de</email>
</author>
<published>2019-04-10T08:17:35Z</published>
<link rel='alternate' type='text/html' href='https://cgit.jrwb.de/mkin/commit/?id=194659fcaccdd1ee37851725b8c72e99daa3a8cf'/>
<id>urn:sha1:194659fcaccdd1ee37851725b8c72e99daa3a8cf</id>
<content type='text'>
- Write the NEWS
- Static documentation rebuilt by pkgdown
- Adapt mkinerrmin
- Fix (hopefully all) remaining problems in mkinfit
</content>
</entry>
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