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2019-05-07After the OLS step, use OLS parameter estimatesJohannes Ranke31-1073/+1025
- Fix the respective error in the code - Static documentation rebuilt by pkgdown
2019-05-03Improve error model fittingJohannes Ranke49-592/+622
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
2019-05-02Build logJohannes Ranke1-1/+3
2019-05-02Remove reference to archived kinfit packageJohannes Ranke16-360/+1739
from vignettes/mkin.Rmd Static documentation rebuilt by pkgdown
2019-05-02Prepare for CRAN releaseJohannes Ranke18-98/+103
- 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 > 10 s on winbuilder - Rebuild docs
2019-05-02Improve testsJohannes Ranke5-34/+45
- Improve control of the number of cores - Reduce the precision of the correlation matrix in the test summary output, as the exact results are platform dependent
2019-05-02Better initials for error model parametersJohannes Ranke78-424/+450
- Also make it possible to specify initial values for error model parameters. - Run tests - Rebuild docs
2019-04-24Improve output and update testsJohannes Ranke7-112/+70
Remove skipped tests as I do not intend to reactivate them
2019-04-10Address failure on travisJohannes Ranke4-3/+4
Also reduce the digits in the representative half-live given by nafta()
2019-04-10Adapt tests, vignettes and examplesJohannes Ranke139-2333/+6813
- Write the NEWS - Static documentation rebuilt by pkgdown - Adapt mkinerrmin - Fix (hopefully all) remaining problems in mkinfit
2019-04-08Remove zero observations, adapt logLikJohannes Ranke2-24/+11
Zero observations at time zero made fitting the two-component error model fail. A concentration of exactly zero does not make sense anyways, as we generally have a limit of detection
2019-04-05Report negative log-likelihood during fitsJohannes Ranke1-4/+10
If not quiet = TRUE
2019-04-04Direct error model fitting worksJohannes Ranke10-666/+1876
- No IRLS required - Removed optimization algorithms other than Port - Removed the dependency on FME - Fitting the error model 'obs' is much faster for the FOCUS_2006_D dataset and the FOMC_SFO model (1 second versus 3.4 seconds) - Vignettes build slower. Compiled models needs 3 minutes instead of 1.5 - For other vignettes, the trend is less clear. Some fits are faster, even for error_model = "const". FOCUS_Z is faster (34.9 s versus 44.1 s) - Standard errors and confidence intervals are slightly smaller - Removed code for plotting during the fit, as I hardly ever used it - Merged the two cost functions (using transformed and untransformed parameters) into one log-likelihood function
2019-03-19Set URL to documentation pageJohannes Ranke1-1/+1
2019-03-04Update README.html for cgit.jrwb.deJohannes Ranke1-1/+1
2019-03-04Make some example output more reproducibleJohannes Ranke17-914/+177
In order to avoid some unnecessary documentation rebuilds
2019-03-04Fix .RbuildignoreJohannes Ranke1-14/+13
thanks to Kurt Hornik for pointing out that perl regexp syntax is needed, not shell glob syntax
2019-03-04Winbuilder also needs cores = 1v0.9.48.1Johannes Ranke1-1/+1
2019-03-04signif for DTx when printing nafta resultsJohannes Ranke3-5/+5
In order to be able to test cross-platform
2019-03-04Review tests and examples based on winbuilder resultsJohannes Ranke38-668/+715
Static documentation rebuilt by pkgdown
2019-02-28Update README for cgit.jrwb.deJohannes Ranke1-1/+1
2019-02-27Fix test for mkinds printingJohannes Ranke2-1/+7
2019-02-27Comment out unused codeJohannes Ranke2-27/+27
2019-02-27Further increase test coverageJohannes Ranke7-11/+125
2019-02-27Increase test coverageJohannes Ranke8-39/+413
2019-02-27Fix CAKE export test to actually workJohannes Ranke7-7/+18
Also test the model specification via the link argument
2019-02-26Static documentation rebuilt by pkgdownJohannes Ranke61-80/+264
2019-02-26NAFTA SOP Attachment vignetteJohannes Ranke57-156/+1616
Also: - Change rounding in print.nafta - Add dots argument to nafta() - Use cores=1 in examples - Restrict N in IORE model to values > 0
2019-02-26Static documentation rebuilt by pkgdownJohannes Ranke19-88/+349
2019-02-26Add another NAFTA dataset + testJohannes Ranke14-53/+647
2019-02-25Fixes for last commitJohannes Ranke2-1/+3
2019-02-25Test AIC calculationJohannes Ranke2-1/+2
2019-02-25Test CAKE exportJohannes Ranke7-78/+129
2019-02-25Basic test for two-component reweightingJohannes Ranke2-9/+13
2019-02-25Test fitting without internal transformationsJohannes Ranke1-14/+34
2019-02-25Shorten path to test plotJohannes Ranke4-14/+11
2019-02-25Fix tests and add plot and print for naftaJohannes Ranke7-11/+505
2019-02-25Test printing the summary of an mkinfit objectJohannes Ranke3-2/+157
2019-02-25Another test case for plottingJohannes Ranke2-1/+144
2019-02-25Static documentation rebuilt by current pkgdownJohannes Ranke62-149/+165
2019-02-25Add plotting tests, add nafta to pkgdownJohannes Ranke22-108/+1002
2019-02-22Implement the NAFTA evaluation schemeJohannes Ranke27-94/+1207
2019-02-22Adapt test to the extended endpoints functionJohannes Ranke1-2/+2
2019-02-22Static documentation rebuilt by pkgdownJohannes Ranke15-91/+92
2019-02-22Further adaptations for the logistic modelJohannes Ranke4-7/+13
- Make mmkin compatible - Return DT50 values corresponding to k0 and kmax - Turn incompatible parameter names in parms.ini from an error to a warning, in order to make it possible to use this argument in calls to mmkin
2019-02-21Static documentation rebuilt by pkgdownJohannes Ranke12-81/+82
to get the codecov badge into the docs
2019-02-21Use codecovJohannes Ranke4-2/+7
2019-02-21Static documentation rebuilt by pkgdownJohannes Ranke55-161/+160
2019-02-21Remove unused codeJohannes Ranke3-3/+1
2019-02-21Sync version number in DESCRIPTION with NEWS.mdJohannes Ranke1-2/+2

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