mkin/check.log, branch v0.9.49.7Fitting kinetic models to chemical degradation data (also on github)https://erac.jrwb.de/mkin/atom?h=v0.9.49.72019-11-01T11:19:03ZFix bug in yesterdays release, add methods for BIC2019-11-01T11:19:03ZJohannes Rankejranke@uni-bremen.de2019-11-01T11:19:03Zurn:sha1:bbb74d4f60033899cd5cdd36aa70f157bc52209eGo back to d_3 for errmod = "obs"2019-10-22T08:46:57ZJohannes Rankejranke@uni-bremen.de2019-10-22T08:46:57Zurn:sha1:d1e9f2d5207662d9c49f42470f561a89f8db05f5
in the hope that this makes plotting cross-platform also for this error
model
Local check2019-10-21T20:53:46ZJohannes Rankejranke@uni-bremen.de2019-10-21T20:53:46Zurn:sha1:1c8fae503c6c18764d62bc98236111168ac83529Improve some plotting routines, more tests2019-10-21T16:54:37ZJohannes Rankejranke@uni-bremen.de2019-10-21T16:52:24Zurn:sha1:e09f726134ee273b6b191c1ec6465e6f701b082b
Static documentation rebuilt by pkgdown
Refactor mkinfit, infrastructure work2019-10-21T10:11:34ZJohannes Rankejranke@uni-bremen.de2019-10-21T10:11:34Zurn:sha1:7624a2b8398b4ad665a3b0b622488e1893a5ee7c
mkinfit objects now include an ll() function to calculate the
log-likelihood. Part of the code was refactored, hopefully making it
easier to read and maintain. IRLS is currently the default algorithm for
the error model "obs", for no particular reason. This may be subject
to change when I get around to investigate.
Slow tests are now in a separate subdirectory and will probably
only be run by my own Makefile target.
Formatting of test logs is improved.
Roundtripping error model parameters works with a precision of 10% when
we use lots of replicates in the synthetic data (see slow tests). This
is not new in this commit, but as I think it is reasonable this
closes #7.
Address winbuilder R-devel warning about usage2019-07-09T10:31:22ZJohannes Rankejranke@uni-bremen.de2019-07-09T10:31:22Zurn:sha1:9ffec8b386646c51d1458f9c9c7b3124a8d9c91cAdaptations for gmkin2019-07-09T07:10:02ZJohannes Rankejranke@uni-bremen.de2019-07-08T16:12:21Zurn:sha1:e0bef15657df1d6cade99cc3f6d8b07fa35792fe
Address winbuilder check problems, update check log, update of static docs
Add check and test logs2019-07-03T15:04:11ZJohannes Rankejranke@uni-bremen.de2019-07-03T15:04:11Zurn:sha1:2fb8a479b9075681ab69063127f4e58a1f9b2052Additional algorithm "d_c", more tests, docs2019-06-04T13:09:28ZJohannes Rankejranke@uni-bremen.de2019-06-04T13:09:28Zurn:sha1:95178837d3f91e84837628446b5fd468179af2b9
The new algorithm tries direct optimization of the likelihood, as well
as a three step procedure. In this way, we consistently get the
model with the highest likelihood for SFO, DFOP and HS for all 12
new test datasets.
Improve error model fitting2019-05-03T17:14:15ZJohannes Rankejranke@uni-bremen.de2019-05-03T17:14:15Zurn:sha1:1ef7008be2a72a0847064ad9c2ddcfa16b055482
Now we have a three stage fitting process for
nonconstant error models:
- Unweighted least squares
- Only optimize the error model
- Optimize both
Static documentation rebuilt by pkgdown