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chemCal 0.2.3

• Make the use of the ‘investr’ package conditional in testthat tests,update maintainer e-mail address

chemCal 0.2.2

• ‘calplot’ gains an argument ‘legend_x’ for better control of thelegend position

• Added the cadmium dataset from Rocke and Lorenzato(1995)

• Suggest: rmarkdown as it is not a dependency of knitr any more,as pointed out by Kurt Hornik

chemCal 0.2.1

• ‘inverse.predict’: Do not work on the means of the calibrationstandards any more, as this ignores the variability of y values aboutthe means. Thanks to Anna Burniol Figols for pointing out thisissue

• Use testthat for tests to simplify development. Adapt the testsusing data with replicate standard measurements to work on the means inorder to show the relation to ‘inverse.predict’ from earlier versions.Include comparisons with investr::calibrate(method = ‘Wald’) forunweighted regressions. Include tests with more precision to check forchanges in numerical output across versions.

• ‘lod’ and ‘loq’: In the lists that are returned, return the listcomponent ‘y’ without names, because we always only have a singleelement in ‘y’ (previously the name ‘1’ was returned).

• Convert vignette to html and explain the changes to‘inverse.predict’

• Add two example dataset, one from an online course at theUniversity of Toronto, one from Rocke and Lorenzato (1995)

• Update static documentation

chemCal 0.1-37

• Maintenance release

chemCal 0.1-34

• Bugfix in lod() and loq(): In the case of small absolute x values(e.g. on the order of 1e-4 and smaller), the lod or loq calculated usingthe default method could produce inaccurate results as the defaulttolerance that was used in the internal call to optimize isinappropriate in such cases. Now a reasonable default is used which canbe overriden by the user. Thanks to Jérôme Ambroise for reporting thebug.

For a detailed list of changes to the chemCal source please consultthe commit history on https://cgit.jrwb.de/chemCal