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2019-05-23Fix a bug that could lead to wrong chi2 error levelsJohannes Ranke1-1/+1
2019-05-07After the OLS step, use OLS parameter estimatesJohannes Ranke1-1/+1
- Fix the respective error in the code - Static documentation rebuilt by pkgdown
2019-04-10Adapt tests, vignettes and examplesJohannes Ranke1-3/+4
- Write the NEWS - Static documentation rebuilt by pkgdown - Adapt mkinerrmin - Fix (hopefully all) remaining problems in mkinfit
2019-04-04Direct error model fitting worksJohannes Ranke1-4/+4
- 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
2019-03-04Review tests and examples based on winbuilder resultsJohannes Ranke1-2/+1
Static documentation rebuilt by pkgdown
2019-02-27Fix CAKE export test to actually workJohannes Ranke1-1/+1
Also test the model specification via the link argument
2019-02-25Add plotting tests, add nafta to pkgdownJohannes Ranke1-2/+3
2019-02-21Use codecovJohannes Ranke1-1/+1
2019-02-21Sync version number in DESCRIPTION with NEWS.mdJohannes Ranke1-2/+2
2019-01-31Suggest rmarkdown for vignette building on TravisJohannes Ranke1-1/+1
2019-01-31Static documentation rebuilt by pkgdownJohannes Ranke1-1/+1
2018-11-26Support logLik and AIC for manual weightsJohannes Ranke1-1/+1
Static documentation rebuilt by pkgdown
2018-11-23Static documentation rebuilt by pkgdownJohannes Ranke1-1/+1
2018-09-21Improve fitting the two-component error modelJohannes Ranke1-2/+2
with respect to accuracy and robustness.
2018-09-18Support maximum twa for HS, test, docsJohannes Ranke1-1/+1
2018-09-15Restore test as we removed cor test, bump versionJohannes Ranke1-1/+1
2018-09-14Remove two vignettes from the package but not from docsJohannes Ranke1-1/+1
- Rebuild static documentation - Adapt test to new approach to two component error model where the model is inadequate
2018-09-14Exclude more example code from CRAN checksJohannes Ranke1-2/+2
to avoid NOTES about long execution times. Static documentation rebuilt by pkgdown with run_dont_run = TRUE
2018-09-07Bump version to trigger pkgdown hook on jrwb.deJohannes Ranke1-2/+2
2018-07-18Correct references to the Rocke and Lorenzato modelJohannes Ranke1-1/+1
Rename 'sigma_rl' to 'sigma_twocomp' as the Rocke and Lorenzato model assumes lognormal distribution for large y. Rebuild static documentation.
2018-07-04Improve IORE fitting, use 1.1 as N starting valueJohannes Ranke1-2/+2
2018-06-06Static documentation rebuilt by pkgdown 1.1.0Johannes Ranke1-0/+1
2018-01-30Reweighting with two-component error modelJohannes Ranke1-1/+1
Static documentation except articles rebuilt by pkgdown
2018-01-05Experimental test data from UBA 2014 expertiseJohannes Ranke1-2/+2
- Typo in synthetic data for UBA - Static documentation except articles rebuilt by pkgdown
2017-11-16Add the code used for generating synthetic_data_for_UBAJohannes Ranke1-2/+2
Static documentation except articles rebuilt by pkgdown
2017-11-10Delete trailing whitespace, update README.htmlJohannes Ranke1-2/+2
2017-10-10Add ORCID to DESCRIPTION, released versionv0.9.46.2Johannes Ranke1-2/+3
Static documentation except articles rebuilt by pkgdown
2017-09-18Change Depends to ImportsJohannes Ranke1-2/+2
as recommended, e.g. by Uwe Ligges in his useR! 2017 keynote
2017-09-14Convert FOCUS Z vignette to rmarkdown/htmlJohannes Ranke1-2/+2
- Static documentation rebuilt by pkgdown::build_articles() - DESCRIPTION: Version bump and current date
2017-09-07Update Date in DESCRIPTION, last build logJohannes Ranke1-1/+1
2017-09-07Static documentation except articles rebuilt by pkgdownJohannes Ranke1-1/+1
2017-07-29Bump version, update NEWS and rebuild pkdown docsv0.9.46Johannes Ranke1-2/+2
2017-07-21Todays dateJohannes Ranke1-1/+1
2017-05-05Switch from microbenchmark to rbenchmarkJohannes Ranke1-3/+3
2016-12-21TWA calculation for SFO, FOMC and DFOP (parent)Johannes Ranke1-2/+2
2016-12-08Prepare for releaseJohannes Ranke1-2/+2
2016-12-07Use latex in plots when using tikzDeviceJohannes Ranke1-1/+1
2016-11-04Use github URL againJohannes Ranke1-1/+1
2016-11-04Static documentation rebuilt by pkgdown::build_site()Johannes Ranke1-1/+1
With updated pkgdown with my PR
2016-11-03Static documentation rebuilt by pkgdown::build_site()Johannes Ranke1-2/+1
Using pkgdown with PR hadley/pkgdown#212
2016-09-10Plot using R model if compiled model is not availableJohannes Ranke1-2/+2
2016-06-28Bump version for new release, rebuild static docsJohannes Ranke1-1/+1
The test test_FOMC_ill-defined leads to errors on several architectures/distributions, as apparent from CRAN checks, so we need a new release. Static documentation rebuilt by staticdocs::build_site()
2016-06-28Bump version after release to CRANJohannes Ranke1-1/+1
2016-06-28Avoid multicore fits in vignettes for passing CRAN checksJohannes Ranke1-1/+1
Also a small fix to the FOCUS Z vignette, and an update of the static documentation generated by staticdocs.
2016-06-28Convenience wrapper plot_sep, further vignette updatesJohannes Ranke1-1/+1
2016-06-27Bump version for publication, update staticdocsJohannes Ranke1-2/+2
2016-06-24Convert main vignette to Rmd/html, add_err(), fixesJohannes Ranke1-1/+1
2016-06-17Change the title of the package, small bugfixJohannes Ranke1-11/+10
2016-06-09Fix a bug in the listing of formation fractionsJohannes Ranke1-1/+1
The bug could only occur if a parent compound with a metabolite would end in the letter 'f' and was therefore not noticed earlier

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