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<title>mkin/tests/testthat/FOCUS_2006_D.csf, branch v0.9.50.3</title>
<subtitle>Fitting kinetic models to chemical degradation data (also on github)</subtitle>
<id>https://erac.jrwb.de/mkin/atom?h=v0.9.50.3</id>
<link rel='self' href='https://erac.jrwb.de/mkin/atom?h=v0.9.50.3'/>
<link rel='alternate' type='text/html' href='https://erac.jrwb.de/mkin/'/>
<updated>2020-10-08T07:31:35Z</updated>
<entry>
<title>Fix issues for release</title>
<updated>2020-10-08T07:31:35Z</updated>
<author>
<name>Johannes Ranke</name>
<email>jranke@uni-bremen.de</email>
</author>
<published>2020-10-08T07:31:35Z</published>
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<id>urn:sha1:bc3825ae2d12c18ea3d3caf17eb23c93fef180b8</id>
<content type='text'>
</content>
</entry>
<entry>
<title>mkinfit: Ignore unused components of state.ini</title>
<updated>2020-07-17T14:27:46Z</updated>
<author>
<name>Johannes Ranke</name>
<email>jranke@uni-bremen.de</email>
</author>
<published>2020-07-17T14:27:46Z</published>
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<id>urn:sha1:a7e209b553e2e99ffc9aa2b003f9b73b9ac4b985</id>
<content type='text'>
</content>
</entry>
<entry>
<title>Improve handling of (partially) failing fits</title>
<updated>2020-07-15T10:30:39Z</updated>
<author>
<name>Johannes Ranke</name>
<email>jranke@uni-bremen.de</email>
</author>
<published>2020-07-15T10:30:39Z</published>
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<id>urn:sha1:9f8e1eb33b586beb7e889212bdababa081b6ff67</id>
<content type='text'>
</content>
</entry>
<entry>
<title>Fix a bug, update for current vdiffr</title>
<updated>2020-06-15T07:05:27Z</updated>
<author>
<name>Johannes Ranke</name>
<email>jranke@uni-bremen.de</email>
</author>
<published>2020-06-15T07:05:27Z</published>
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<id>urn:sha1:068b168d78c9550a77514e0c39923f8d40b48b03</id>
<content type='text'>
Vignette FOCUS_L failed as I had introduced a bug in the handling of
warnings.

Current vdiffr only runs visual tests if R &lt; 4.1.0, skipping r-devel for now,
see https://github.com/r-lib/vdiffr/commit/630a29d013361fd63fea242f531e2db6aef37919
</content>
</entry>
<entry>
<title>Warn if standardized residuals are unlikely normal</title>
<updated>2020-05-29T13:03:04Z</updated>
<author>
<name>Johannes Ranke</name>
<email>jranke@uni-bremen.de</email>
</author>
<published>2020-05-29T13:03:04Z</published>
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<id>urn:sha1:510436646b1bdd5b8cfab70be29334bd3cc9c828</id>
<content type='text'>
This revealed a bug in the data returned in mkinfit$data in the case
of the d_3 algorithm, which also affected the residual plot - the
data from the direct fitting was not returned even if this was
the better method.
</content>
</entry>
<entry>
<title>use_of_ff = "max" for shorthand models like "SFO"</title>
<updated>2020-05-28T10:24:32Z</updated>
<author>
<name>Johannes Ranke</name>
<email>jranke@uni-bremen.de</email>
</author>
<published>2020-05-28T10:24:32Z</published>
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<id>urn:sha1:609bfe2fd7ecbdcad5f5d641f0db51541dcd6a4e</id>
<content type='text'>
</content>
</entry>
<entry>
<title>Use all cores per default, confint tolerance</title>
<updated>2020-05-26T16:52:01Z</updated>
<author>
<name>Johannes Ranke</name>
<email>jranke@uni-bremen.de</email>
</author>
<published>2020-05-26T16:38:51Z</published>
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<id>urn:sha1:675a733fa2acc08daabb9b8b571c7d658f281f73</id>
<content type='text'>
Also, use more intelligent starting values for the variance of the
random effects for saemix. While this does not appear to speed up
the convergence, it shows where this variance is greatly reduced
by using mixed-effects models as opposed to the separate independent
fits.
</content>
</entry>
<entry>
<title>Rerun tests and checks, CRAN comments</title>
<updated>2020-05-12T09:39:20Z</updated>
<author>
<name>Johannes Ranke</name>
<email>jranke@uni-bremen.de</email>
</author>
<published>2020-05-12T09:06:48Z</published>
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<id>urn:sha1:a7b8ec200358b6a331e76b3517c7ad21cc30346e</id>
<content type='text'>
</content>
</entry>
<entry>
<title>Avoid merge() and data.frame() in cost function</title>
<updated>2020-05-11T03:18:32Z</updated>
<author>
<name>Johannes Ranke</name>
<email>jranke@uni-bremen.de</email>
</author>
<published>2020-05-11T03:15:19Z</published>
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<id>urn:sha1:234c9059a95e104917e488a6ddd2313234a96cdc</id>
<content type='text'>
also for deSolve and eigenvalue based solutions. This noticeably increases
performance for these methods, see test.log and benchmark vignette.
</content>
</entry>
<entry>
<title>Default to analytical for coupled models if available</title>
<updated>2020-05-10T19:53:00Z</updated>
<author>
<name>Johannes Ranke</name>
<email>jranke@uni-bremen.de</email>
</author>
<published>2020-05-10T19:53:00Z</published>
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<id>urn:sha1:d113cd79b178fdc91aecb894707ed356129dfb75</id>
<content type='text'>
This revealed that transforming rates is necessary for fitting
the analytical solution of the SFO-SFO model to the FOCUS D dataset.

Benchmarks show that fitting coupled models with deSolve got a bit
slower through the latest changes
</content>
</entry>
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