a029b6e7fe037b1ed0cb896daa048e6f *DESCRIPTION
d383296f731e0b36cbba2947deabc59b *LICENSE
ecbf65bed5a95f178a01e5cd17c16a57 *NAMESPACE
ed314418a2bea6f84f89b2aef5d83267 *NEWS.md
148d3026ff6ca07dedd811b7423be1d9 *R/AlpsNMR.R
99da5c9e3713f8967285fed6c7e22c69 *R/area_estimation.R
055088410073d03bd9e4089ca8cfaf21 *R/batman_helpers.R
5b030729a5ec6fe2bf15fb99ca0d2f96 *R/bruker.R
b23502b887698bb0292464315c0feb0b *R/computes_peak_width_ppm.R
40a9dd2af5dfc3653a5c8669f862f49c *R/download_MTBLS242.R
88c900d2402b5b09b7577ac8896948fd *R/file_lister.R
f09ad7a1f2904e9afc6385749c47e158 *R/import_jdx.R
0400ea18d208846046d964335f8bfe57 *R/nmr_autophase.R
43795ae9a7d77bc8633c5f64bf8ede8b *R/nmr_baseline_removal.R
7f4f64a34231d168e887f29352f9b3bb *R/nmr_baseline_threshold.R
ffd69b7adeac4cfbb8a3d8a3b65882fb *R/nmr_data.R
b8993414449766b82a88449d72427ea4 *R/nmr_data_analysis.R
4be343e3daaca1172ff467f876f34c0a *R/nmr_dataset.R
8b48b496bd56a66b9c67b200adc1e99b *R/nmr_dataset_1D.R
816dbd994580bf2e5606b18859cef8e8 *R/nmr_dataset_family.R
5fc44e540ae25b993a4e6482ccbba48f *R/nmr_dataset_load_save.R
c73dcbb4118c2be48e9484c8194af020 *R/nmr_dataset_peak_table.R
8d12fc45fa48cc701bec873bbebeab95 *R/nmr_detect_peaks_align.R
d858915c11c2c8ab890b16310fac829b *R/nmr_exclude_region.R
71142b019d89aa26a1ed4778de6de5ca *R/nmr_identify_regions.R
5a419eff97277b9397a0e7d5dbe7962e *R/nmr_integrate_regions.R
ed933bee009dfa6daedf664002c349b6 *R/nmr_interpolate.R
0d80ceeef85f2170e1ba23e02c24e8da *R/nmr_meta.R
1b5d2b3b1811ff148fde8a618d4d7cdb *R/nmr_normalize.R
c2ca42fbfafdb8c737ab217b495aa026 *R/nmr_peak_clustering.R
74d3b8a1075033790003a4e339dff872 *R/pca_helpers.R
6dab4b99e8f65985f5ac68f1ec2b2ef0 *R/pipeline.R
391b3ab602c70e816ac8362790b15173 *R/plots.R
538ac41bc8a457a07f1d1baf0f302325 *R/plsda.R
d2291ff5deff7147e6f21154e2b49db4 *R/to_rDolphin_blood.R
b19a358426864cb8d10405c5f94d48bf *R/utils.R
9afd53b35e430999b1bb0313443cbfcf *R/zzz.R
56667dafcbe5dfbdcf021d0dae6bda90 *README.md
1bf18d9c216b8d95033f0bd2fe2906b2 *build/partial.rdb
339049909a93853bb56393fdd5903d7f *build/vignette.rds
ef736c3ba699ad2342f494cddbd545bc *data/HMDB_blood.rda
3c0305233042f2fb6ee5dff4ae9f6e23 *data/HMDB_cell.rda
80e29eadd4ac8c876749e14177bef553 *data/HMDB_urine.rda
897aa5519ff6ba5313051cdcf34b718d *data/Parameters_blood.rda
ec7b391eb64f5d541ca27508f5b57050 *data/Parameters_cell.rda
5abe706fd6aced21dbd5ebfea67e4f5e *data/Parameters_urine.rda
88a8cf88228d54bb8e49c6f2908f0379 *data/ROI_blood.rda
7b5d6b96cedf62a7262e8ab52ed858ca *data/ROI_cell.rda
638f3709d40c32f13150f0fb6553bc05 *data/ROI_urine.rda
c98b0fadc1a76de241d786ee06245a0f *data/hmdb.rda
d228287aec2cedd6427a7564bff02fbd *inst/CITATION
7acb51412c05c87554f2d8ec5f3e7830 *inst/dataset-demo/10.zip
d67bc59de76e2079521e1415488588d6 *inst/dataset-demo/20.zip
0c45ec5b0c8f76acc046e758ff7f4764 *inst/dataset-demo/30.zip
7308bab7fc388017ea640bbdd2824936 *inst/dataset-demo/README.txt
9169056c77b1e5c14e29a32ccf0e783d *inst/dataset-demo/dummy_metadata.xlsx
abfe2629734eeb95bce6766e0c9b58a9 *inst/doc/Vig01-introduction-to-alpsnmr.R
4f491c716136226361690999f862d119 *inst/doc/Vig01-introduction-to-alpsnmr.Rmd
865e1882d21fe60bbd90d40ad4a8619f *inst/doc/Vig01-introduction-to-alpsnmr.pdf
29ff3130b835679de838f593ab95fa63 *inst/doc/Vig01b-introduction-to-alpsnmr-old-api.R
0a6cde1661276cac5a8d594fc5080bb6 *inst/doc/Vig01b-introduction-to-alpsnmr-old-api.Rmd
f016fad9640184638fd8392eee07474d *inst/doc/Vig01b-introduction-to-alpsnmr-old-api.pdf
ba0e80f01fbce839a9bb00b6a29c60ef *inst/doc/Vig02-handling-metadata-and-annotations.R
100ac670bf46abc9972f5f9aecddf1ba *inst/doc/Vig02-handling-metadata-and-annotations.Rmd
ab8088caca66c61054767a61cab9f627 *inst/doc/Vig02-handling-metadata-and-annotations.pdf
3171fbf0643aa3450e9d57991a6f84b8 *inst/extdata/nmr_dataset.rds
560b4784a978dfaa93489ddb4ada590d *inst/pipeline-rmd/add-metadata.Rmd
81dc6338b88d366c58e7fdb50b580d34 *inst/pipeline-rmd/pipeline_example.R
c55b65f39327acbedece454bf59104b0 *inst/script/extdata_info.txt
c0df4016ce4abd0a9571d2dd3ece4b36 *man/AlpsNMR-package.Rd
514221bdfa06937f062653753d951d73 *man/HMDB_blood.Rd
ee5bc7fb9d0ecb66d340ed30ef5fbb2b *man/HMDB_cell.Rd
bc9e96fd99fd4c20647b920e56cf2e94 *man/HMDB_urine.Rd
384c9713b552a788c6f861276368edc8 *man/Parameters_blood.Rd
8cf80557192985f8aa61055e332418f4 *man/Parameters_cell.Rd
6b5808a0ba59a0c1f16f4854f7813577 *man/Parameters_urine.Rd
aade813b41c2cca5334ebe4f08e209c7 *man/Peak_detection.Rd
b02e347b187274f8bc598645133e2f56 *man/Pipelines.Rd
5d1d38e7068ed9d0cdfeab409f912970 *man/ROI_blood.Rd
84a0176a27df7e4be2079acde7f15e2b *man/ROI_cell.Rd
c04cf118e857685f1318347a9175e94f *man/ROI_urine.Rd
f2d308ceddbe5ec1b8edb5913ee753b4 *man/SummarizedExperiment_to_nmr_data_1r.Rd
469e2836724f61ad146d3187de3903e0 *man/SummarizedExperiment_to_nmr_dataset_peak_table.Rd
011c845d235fa56e55533cd8c6370002 *man/bp_VIP_analysis.Rd
ff3ea2361ec8661fdce443218a581c8f *man/bp_kfold_VIP_analysis.Rd
fa16e8eb32ae57194d420932c3f8b6b2 *man/download_MTBLS242.Rd
430ce514e08f609db05944f6156ed3d2 *man/figures/AlpsNMRlogo.png
698f71225081b7c7564d5f28a2e75d0b *man/file_lister.Rd
254c2b9a731861ad2619687ce48ed9d8 *man/files_to_rDolphin.Rd
61b8d20319c0efd8a9bb0ff1f4c0afe6 *man/filter.nmr_dataset_family.Rd
f9b61a10f2237ed03130bb538edb77ab *man/format.nmr_dataset.Rd
983b64d74a7a56e86405a486878b37a0 *man/format.nmr_dataset_1D.Rd
df9ac2328bd8a986ab7cc546cbf9c85e *man/format.nmr_dataset_peak_table.Rd
b7d4fee36f3d85c7a7b1a22f7a94e841 *man/get_integration_with_metadata.Rd
29fe0eabfa9e751bbd0799a18a1bea86 *man/hmdb.Rd
98f41a02441bb767af9349bae1b34b66 *man/is.nmr_dataset.Rd
3f377a9b52b6cbf740bf52786073d5a7 *man/is.nmr_dataset_1D.Rd
37b0066f155f025d3f1a03cc614b6876 *man/is.nmr_dataset_peak_table.Rd
9861d0b65dd727e8a79ef12bea73e307 *man/load_and_save_functions.Rd
a16e7041f99cfca12fb37ccd7873587a *man/models_stability_plot_bootstrap.Rd
afc010a8dea2323799fb4e6ef0f5e0b3 *man/models_stability_plot_plsda.Rd
caf4a1dd95a7026e3b2d15103496474b *man/new_nmr_dataset.Rd
a2a5d12be2a75f6ab7f7da0daa624fb8 *man/new_nmr_dataset_1D.Rd
8c12814ddbc1cf713bdb74d83cea079f *man/new_nmr_dataset_peak_table.Rd
32f4f8d753f60fdfd8a93f5c81f0038f *man/nmr_align.Rd
4c87e506f75fbef10c09e7332168ad22 *man/nmr_align_find_ref.Rd
851bad422e6592f2c3bf5feeb832cfeb *man/nmr_autophase.Rd
eb7b2594ed81998b69a255b2b8d19c98 *man/nmr_baseline_estimation.Rd
aa7e81d9007d38666e6cf98936071366 *man/nmr_baseline_removal.Rd
c909319a74a30ba296de40f350c31a05 *man/nmr_baseline_threshold.Rd
7c48512ebcac7106347892a4959bf716 *man/nmr_baseline_threshold_plot.Rd
089a0afce4d59bffc3a4b5089a96c8b7 *man/nmr_batman.Rd
93b928e378f8783920babfeccacdfa94 *man/nmr_batman_options.Rd
03be6c8158e9393695547a98623b5705 *man/nmr_build_peak_table.Rd
12680fc67d2a8e965fdcfa8f833f823e *man/nmr_data.Rd
7f45d1a1c1768b2c22f88ff66400c803 *man/nmr_data_1r_to_SummarizedExperiment.Rd
536d0a72ba33960a5b2eaaac28808730 *man/nmr_data_analysis.Rd
f1cec2b3dbd82df3f1a56aa601ef36c6 *man/nmr_data_analysis_method.Rd
2d52ae9d001ec0be7c17b8e0d92e0276 *man/nmr_dataset.Rd
063aba1b9c3e617b3fbce335aff195e1 *man/nmr_dataset_1D.Rd
271cf6b6ccaa942704cea3703cb4f539 *man/nmr_dataset_family.Rd
8d47f00da276282dfcda4d4997f3a16e *man/nmr_dataset_peak_table.Rd
cea960659370c2dcd1b587f47351c2c1 *man/nmr_dataset_peak_table_to_SummarizedExperiment.Rd
303be386e718542678fccf358f341af8 *man/nmr_detect_peaks.Rd
960f0f815344694e3909a18177c0f564 *man/nmr_detect_peaks_plot.Rd
aecef3d93b5b81b0cd15af152860ead1 *man/nmr_detect_peaks_plot_overview.Rd
dcfa64d77a7a05c5c0265bdb32e4d1d8 *man/nmr_detect_peaks_plot_peaks.Rd
acadaa4bbdd065ab5cd17fa2cf88170b *man/nmr_detect_peaks_tune_snr.Rd
37f9f6f681747960352fb1f3e2cd2f6e *man/nmr_exclude_region.Rd
6b7f1e1a4a43f7a3f529bfef6cf0b3cf *man/nmr_export_data_1r.Rd
f35e564791e7a0bf6162f03bcf805127 *man/nmr_get_peak_distances.Rd
2ad3fc502203ffe83cc8f0a580781220 *man/nmr_identify_regions_blood.Rd
e4ad178d936d377ed79b66adfd66c49a *man/nmr_identify_regions_cell.Rd
0561e0363893f1539a1370ba2ee21157 *man/nmr_identify_regions_urine.Rd
c9879f9f584f5e691bc803ee3b245bfc *man/nmr_integrate_peak_positions.Rd
384dbeb01c02a978838551ea69750f9a *man/nmr_integrate_regions.Rd
ee0547e73e562fcdccd97820c34cd957 *man/nmr_interpolate_1D.Rd
08a147209114cc2846e12c1de78651f1 *man/nmr_meta_add.Rd
83d50dddf6a4f40ef7d7edea8a685ff8 *man/nmr_meta_export.Rd
4bc8dd2d94549f989cbbca8ee1a82c37 *man/nmr_meta_get.Rd
7059503ecca0cd384f7ba8504dbbdcc3 *man/nmr_meta_get_column.Rd
469cbcd693eb951251c9ec6445248fac *man/nmr_meta_groups.Rd
3dab0f543283c66c9642ca3adf260643 *man/nmr_normalize.Rd
8e14182287347c5f92c952365a4353da *man/nmr_pca_build_model.Rd
b3bdbdcd9941c3fd9ce7c280082d9194 *man/nmr_pca_outliers.Rd
27894a6aeb2d0dfdb6bccde74602edbe *man/nmr_pca_outliers_filter.Rd
61bdec94e61eb66b929a2c213ab0f837 *man/nmr_pca_outliers_plot.Rd
96a978d7c411b34dc948e34a5ee0614a *man/nmr_pca_outliers_robust.Rd
ed0cd5617d0e0f37a7367876228dcd55 *man/nmr_pca_plots.Rd
b9b2871e476b3a4dc1fd323b30bafd1a *man/nmr_peak_clustering.Rd
4f268fd31e1222951fdd148342161be4 *man/nmr_peak_clustering_plot.Rd
41e64dc1837c607c6b7e084e7600699c *man/nmr_ppm_resolution.Rd
27f4ed10dddb63cd8c1de5f0e7106e03 *man/nmr_read_bruker_fid.Rd
0e1057577092ce514b7a3d601811e539 *man/nmr_read_samples.Rd
c3fa37dd8b063977411c7b6c24505ae9 *man/nmr_zip_bruker_samples.Rd
81fe84d38dc7ed474e92ff8ded7c47d4 *man/peaklist_accept_peaks.Rd
3a0ce23ce65c37a26dd782ca1429feaa *man/peaklist_fit_lorentzians.Rd
90a384db86bb60e54379fac154258e3a *man/permutation_test_model.Rd
19b64ffa7aed85b43c6b788c9e5f5bdc *man/permutation_test_plot.Rd
9ed838fd4e1e0996801f2148682d07c3 *man/plot.nmr_dataset_1D.Rd
46a532e6956e25761f316e7e26ee1ef9 *man/plot_bootstrap_multimodel.Rd
29c373b71a0ca2c01c4ee25f3a75cdd4 *man/plot_interactive.Rd
0032a5b5cc6d32d8155b577f15660c1a *man/plot_plsda_multimodel.Rd
a0b080d5b523f496214915157e0edebc *man/plot_plsda_samples.Rd
ce7a9e467076eff1b02fac358993ac5e *man/plot_vip_scores.Rd
59c024343b120aa0f6f33ebee03bd2ae *man/plot_webgl.Rd
92046c94cd7a1664eeb339238998dba8 *man/plsda_auroc_vip_compare.Rd
51ea3af45370f60de4a29ff8272b08a9 *man/plsda_auroc_vip_method.Rd
fcc51b2bd29a3a4dd92332c6fb52e655 *man/ppm_resolution.Rd
351cc2e56c7f81b4593234592b5a2558 *man/print.nmr_dataset.Rd
091084f209b113ffb7141025ad59d69c *man/print.nmr_dataset_1D.Rd
1ff7a0c292fb35ebc152d0708e4d8aee *man/print.nmr_dataset_peak_table.Rd
93511b0bb714b8d4b06314ce757ca943 *man/random_subsampling.Rd
8b52ae3289a601c716e79e01ff3ee564 *man/read_bruker_pdata.Rd
f977cc4a4316a05466c36a448d1506fc *man/reexports.Rd
e5f43bd5973f6262a2e6ab4a19110a83 *man/save_files_to_rDolphin.Rd
e0b42675358a98ab6cedeb5a9a0ca15f *man/save_profiling_output.Rd
935cca4b1a404d24df445b8ec06c2b42 *man/sub-.nmr_dataset.Rd
11282b0a2944199a4aac868208536837 *man/sub-.nmr_dataset_1D.Rd
c514771c4a9604c8b70caaf13a92023e *man/sub-.nmr_dataset_peak_table.Rd
75481a741cd8fadc8e752613f9fa0267 *man/tidy.nmr_dataset_1D.Rd
ba9211bb7c22e04b7f2746706ba143d9 *man/to_ASICS.Rd
fd15f39617117856d55d365225f256c8 *man/to_ChemoSpec.Rd
cac5f484a5e472c8b4061e057c159529 *man/validate_nmr_dataset.Rd
21732bcd5a07ec3601dcd95a90fd3316 *man/validate_nmr_dataset_family.Rd
6d1699e3941714534e496b31defd6368 *man/validate_nmr_dataset_peak_table.Rd
12ae01a6db54fb4989c16d6e721a69ed *man/zzz.Rd
5cbbb99c24bca6f06191ad44e1d5e85f *tests/testthat.R
af038819793a28efb8a625d7eb4402f1 *tests/testthat/test-NMR_identify_regions.R
a21b207aee05b5bafd5963f26527bd7b *tests/testthat/test-autophase.R
0ed6d3aaf6b151d949a9006aac636167 *tests/testthat/test-baseline_removal.R
b7bb3ddef6ecfbf8dc3abc97c70ae27b *tests/testthat/test-for_asics.R
92538444cc13bc4233890c1b7c9617d7 *tests/testthat/test-jdx.R
6f9ac9e0f133e7d529b33165a53f7aa0 *tests/testthat/test-new_nmr_dataset_1d.R
794f278a7ae94e71e0b0911619e6d258 *tests/testthat/test-nmr-data-analysis.R
88f72bf1394a319d53eca3d392cceb17 *tests/testthat/test-nmr_data.R
fa829ad7d51045bb951b5a6d176e6d8a *tests/testthat/test-normalization.R
b8b9ff6e4465b26ee11c14a175367ac3 *tests/testthat/test-outliers.R
c1cbb8bf81128c4409f5798d7b3ec910 *tests/testthat/test-peak-fitting.R
0db46806d74d18f1b4ee14b5d4d8b8f8 *tests/testthat/test-peak_detection.R
a5a40e08aad04265c3684b0408732480 *tests/testthat/test-pipeline.R
75ff44b51cb8b357dcccb23e7c78d528 *tests/testthat/test-random_subsampling.R
2853ebb8fbbf6b7e994657a43733f518 *tests/testthat/test-read_bruker.R
8a51e3d79ed11739f2dbfac6234a46b7 *tests/testthat/test-region_exclusion.R
7e0db1e89281b5754081cfe798f904d3 *tests/testthat/test-rename.R
9e02ff818225c45d5f4c8d6585d6ba70 *tests/testthat/test-to_ChemoSpec.R
2abc5194943d66ff4425f7542e82158f *tests/testthat/test-utils.R
9f64cf3733db259fc7ce52c63f6ce9a5 *tests/testthat/test_adding_metadata.R
5134a28ab61aa90a123e1a165a471a5e *tests/testthat/test_interpolation.R
47654e97e1ac327f9884de10123d9e41 *tests/testthat/test_machine_learning.R
a2f05af7c0fe9d59fde557489428f694 *tests/testthat/test_rDolphin.R
4f491c716136226361690999f862d119 *vignettes/Vig01-introduction-to-alpsnmr.Rmd
0a6cde1661276cac5a8d594fc5080bb6 *vignettes/Vig01b-introduction-to-alpsnmr-old-api.Rmd
100ac670bf46abc9972f5f9aecddf1ba *vignettes/Vig02-handling-metadata-and-annotations.Rmd
