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Merge remote-tracking branch 'upstream/master' into new_release
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stitam committed Oct 1, 2020
2 parents 5e380aa + a931d81 commit 62c70cb
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1 change: 1 addition & 0 deletions DESCRIPTION
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Expand Up @@ -19,6 +19,7 @@ Authors@R: c(person("Eduard", "Szöcs", role = "aut"),
person("Andreas", "Scharmüller", role = "ctb"),
person("Eric R", "Scott", role = "ctb"),
person("Jan", "Stanstrup", role = "ctb"),
person("João Vitor", "F Cavalcante", role = "ctb"),
person("Gordon", "Getzinger", role = "ctb"),
person("Tamás", "Stirling", email = "stirling.tamas@gmail.com", role = c("ctb", "cre")))
Maintainer: Tamás Stirling <stirling.tamas@gmail.com>
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6 changes: 6 additions & 0 deletions R/nist.R
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Expand Up @@ -305,6 +305,12 @@ tidy_ritable <- function(ri_xml) {
#' were aggregated from}
#'}
#'
#' @references NIST Mass Spectrometry Data Center, William E. Wallace, director,
#' "Retention Indices" in NIST Chemistry WebBook, NIST Standard Reference
#' Database Number 69, Eds. P.J. Linstrom and W.G. Mallard,
#' National Institute of Standards and Technology, Gaithersburg MD, 20899,
#' \url{https://doi.org/10.18434/T4D303}.
#'
#' @export
#' @note Copyright for NIST Standard Reference Data is governed by the Standard
#' Reference Data Act, \url{https://www.nist.gov/srd/public-law}.
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2 changes: 1 addition & 1 deletion README.Rmd
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Expand Up @@ -49,7 +49,7 @@ At least some of the data in the following sources is accesible through `webchem
- [ChEBI](https://www.ebi.ac.uk/chebi/)
- [Chemical Identifier Resolver (CIR)](http://cactus.nci.nih.gov/chemical/structure)
- [Chemical Translation Service (CTS)](http://cts.fiehnlab.ucdavis.edu/)
- [ChemIDplus](http://chem.sis.nlm.nih.gov/chemidplus/)
- [ChemIDplus](https://chem.nlm.nih.gov/chemidplus/)
- [ChemSpider](http://www.chemspider.com/) (requires an [API token]((https://developer.rsc.org/)))
- [ETOX](http://webetox.uba.de/webETOX/index.do)
- [Flavornet](http://www.flavornet.org)
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7 changes: 7 additions & 0 deletions man/nist_ri.Rd

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