Philipp Baumann
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7e5a9b9bf2
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rename argument to be more specific
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7 years ago |
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Philipp Baumann
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d913bcd56c
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Add extra argument to resolve different offset of spectra after atmospheric compensation for some OPUS versions; quick fix
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7 years ago |
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Philipp Baumann
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43757d1c07
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Extend averaging function by an argument called `by` to specify by which grouping column the spectra are averaged
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7 years ago |
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Philipp Baumann
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94ca92d90c
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update NAMESPACE with newly exported functions
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7 years ago |
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Philipp Baumann
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13b5ba65fa
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Export binary ASD reader
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7 years ago |
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Philipp Baumann
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b30b318090
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First version of ASD binary file reader based on `prospectr::readASD` that gathers spectra data into data structures compatible to the spectral tibble processing framework of simplerspec
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7 years ago |
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Philipp Baumann
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762683b14d
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Enhance readablility of comments
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7 years ago |
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Philipp Baumann
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577924cdaf
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Add helper and ggplot2 custom wrapper functions for gather and plot spectra tibble data
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7 years ago |
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Philipp Baumann
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20094080e2
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Append a list-column of numeric vectors for x unit values corresponding to preprocessed spectra. This improves the simplerspec processing framework because wavenumbers of preprocessed spectra are in addition to matrix column names in a separate data.frame/tibble column
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7 years ago |
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Philipp Baumann
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ceced23f14
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Create an extended spectra plotting functions for diagnostics and explorative analyses within the simplerspec tibble list-column processing framework
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7 years ago |
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Philipp Baumann
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af8964160f
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Fix error that metadata list-column has two rows because of duplicate strings when reading basic information from OPUS files
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7 years ago |
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Philipp Baumann
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7f08507b02
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Fix error that occured when reading a file (`30020 KB020 1-20A O-1.12`) that had unequal length of `FXV` and `NPT`
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7 years ago |
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Philipp Baumann
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f3c6e5edd8
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Fix error when reading OPUS files with duplicated interferograms
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7 years ago |
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Philipp Baumann
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032f32f3af
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New simplerspec::fit_pls version returns caret train object in list element `model` instead of `pls_model` (more generic)
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7 years ago |
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Philipp Baumann
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617cfb3642
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Remove `xy_max` and `xy_min` from model evaluation output because not needed
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7 years ago |
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Philipp Baumann
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5df62dd9da
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Modify the xy axis range in the evaluation plot so that either observed or predicted minimum and maximum values are used; implement the one standard error rule suggested by Breiman et al. (1984) for determining final model parameters
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7 years ago |
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Philipp Baumann
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e7dd8c7fe5
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Test 2 for commiting on WLAN vpn for smb drive
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7 years ago |
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Philipp Baumann
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f6ae40366c
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Try commiting on newly migrated NNAS drive
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7 years ago |
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Philipp Baumann
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8a43994502
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Fix parallel implementation of universal OPUS file reader. Tested with 8 threads, and files are read almost 8 times faster! on my Macbook Pro
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7 years ago |
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Philipp Baumann
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37e8545983
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Add feature to remove spectra from list that have a NULL in sublists called "spc" because spectra have not been successfully read with the universal OPUS file reader. Add an informative message
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7 years ago |
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Philipp Baumann
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edcf9c07ba
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Update `gather_spc` to universal file reader in documentation
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7 years ago |
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Philipp Baumann
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a2499b58df
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Attempt to fix error: Error in plot_spc(spc_tbl = spc_gathered, y = "spc", by = "file_id") :
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7 years ago |
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Philipp Baumann
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3770b5b152
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Format and complete R console output in processing pipe
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7 years ago |
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Philipp Baumann
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0ea9588560
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Add outputs of simplerspec modeling pipe
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7 years ago |
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Philipp Baumann
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4cd4dd60c1
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Add some resources and explanations on list-column concept and functional programming
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7 years ago |
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Philipp Baumann
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2eca8a9d3f
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Small typo in README
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7 years ago |
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Philipp Baumann
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15a2d8b197
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Update documentation, first final draft
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7 years ago |
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Philipp Baumann
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03fb78f2a8
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Update documentation for plotting helper function
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7 years ago |
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Philipp Baumann
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5fd3f15414
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Clean and update documentation and order of arguments in exported modeling wrappers
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7 years ago |
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Philipp Baumann
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aa9e443b51
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Update manuals
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7 years ago |
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Philipp Baumann
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786e7919e6
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Complete first draft of complete `preprocess_spc` documentation
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7 years ago |
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Philipp Baumann
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8aab45a7d5
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Add yet undocumented arguments in documentation for ASD file reader
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7 years ago |
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Philipp Baumann
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eaa0fa35b3
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Reformat Usage in `plot_spc` documentation for readablility
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7 years ago |
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Philipp Baumann
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f7cd5ef5ac
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Complete first draft of plotting function documentation
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7 years ago |
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Philipp Baumann
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97f67e3d60
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Fix various `R CMD check` WARNINGS and NOTES and make new documetation of depreciated `pls_ken_stone` that links to new documetation of `fit_pls`
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7 years ago |
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Philipp Baumann
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23afd3e6bc
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Fix typo from previous commit to fix wrong naming
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7 years ago |
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Philipp Baumann
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a05e186091
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Fix `R CMD check` NOTE: `select_ref_spc: no visible binding for global variable ...`
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7 years ago |
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Philipp Baumann
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85c77055f8
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Fix error of wrong list name when there are more `FXV` positions thatn `LXV` positions in the binary Bruker OPUS file
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7 years ago |
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Philipp Baumann
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b6cdd577ce
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Fix `R CMD check` NOTE to import read.csv from utils
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7 years ago |
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Philipp Baumann
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966eb5f316
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Add depreciated `vaidation` argument to `fit_pls` documentation
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7 years ago |
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Philipp Baumann
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b552a74d01
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Fix accidental mistyping that referenced to the old file reader when reading OPUS files in parallel
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7 years ago |
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Philipp Baumann
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d1d7cc725e
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Fix some `R CMD check` NOTES for select_ref_spc
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7 years ago |
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Philipp Baumann
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5473c80e5e
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Fix `R CMD check` WARNING: `split_data_q: no visible binding for global variable...`
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7 years ago |
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Philipp Baumann
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97a7da1968
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Complete documetation of ``read_opus_bin_univ` with spectra type to extract
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7 years ago |
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Philipp Baumann
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6b66e2ccef
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Fix `R CMD check` WARNING of missing description in documentation
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7 years ago |
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Philipp Baumann
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4a1b0d31cf
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Fix `R CMD check` WARNING of missing description in documentation
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7 years ago |
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Philipp Baumann
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90dc42d2af
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Pipe operator from magrittr needs to be in NAMESPACE
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7 years ago |
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Philipp Baumann
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857a649dfe
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A single symbol does only need unquote (`rlang::UQ`) instead of unquote splice)
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7 years ago |
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Philipp Baumann
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a3a7d739f0
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Transform most of dplyr code into tidy evaluation framework by using rlang functions
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7 years ago |
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Philipp Baumann
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3dac00d3b3
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Update documentation with missing arguments
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7 years ago |
