f5cf206233e5fac6dec9800441d7f4ad *ChangeLog
4870de1f696812ee3f0e638f399aef58 *DESCRIPTION
f7c12275e2a92b11a441c4f7ff3e8eab *NAMESPACE
3dbc29cf4fd95e3eb2e50f94b92a4d26 *R/RCQC.R
4fec7acd3ee43f9021dfd710f7b7f358 *R/annotate.R
8747dcc73e30c8164ec911e7b437e61d *R/annotation.summary.R
d9fce0e7e318fd4810f4cf8aa462149f *R/assign.z.R
c4c6e80998ed4951c284fb5986c780d0 *R/calculate.similarity.R
6862a799cc82433cdc31632d42c08185 *R/change.annotation.R
e7067aabb3ec45bb217519ff2301fcdb *R/cmpd.summary.R
d7ca42636216266c052967aa1902c43a *R/defineExperiment.R
7256da0ab5bc7cf8a12f7f5c2002457b *R/do.findmain.R
010ec7bc1e3e244899eec9697949591c *R/export.msfinder.formulas.R
7dece4db8177a9bad9ba37b6e9f109c7 *R/exportDataset.R
57c5d207b04c131923163044f0828da5 *R/findfeature.R
f0813a2843b26d4611fcbf691b9d96f1 *R/findmass.R
519a395e2cd4c82fdd4e3953b99eb90c *R/fooddb2msfinder.R
6359636bbb9794a7904746f25c41466a *R/getData.R
21bb73a203037b44fde0879b5970044f *R/getSmilesInchi.R
34805e6e8a25fbaad0b544a7cf908001 *R/impRamSearch.R
8b2f4cdfa0a40f384738dc445543f394 *R/import.MSFinder.formulas.R
ba01a83b5d468e35b4d4b16531d2bb1c *R/import.MSFinder.structures.R
b0d7b20cacb303146cfd4e3843ff0367 *R/import.adap.kdb.R
16809c696c0dcb0d1935e88998c1e73e *R/import.msfinder.mssearch.R
5544175bd5fbab34e1824721c525b366 *R/import.sirius.R
57c2d0dbb4437ae8929ade3e17b6e702 *R/manual.annotation.template.R
f118ac99c1d0876c4a6cf61e31105927 *R/mergeRCobjects.R
967c72c758e6f376228f334057eb7776 *R/ramclustR.R
82b33ec772b70bdfcfa383a4420b5c79 *R/rc.calibrate.ri.R
4dbb21e7b3fddaf12cb3f0699a2879cc *R/rc.cmpd.cv.filter.R
d2282d73252ed605d059ca6b3cf6e4c7 *R/rc.cmpd.get.classyfire.R
9754c4728d8620b67d4cc3ce0009cdc0 *R/rc.cmpd.get.pubchem.R
37fe144241f513f3e1dadddee965f955 *R/rc.cmpd.get.smiles.inchi.R
8d5b3036eb4dfb1dbaf95eaea32135ce *R/rc.cmpd.replace.na.R
b184eae9900dcc1c298bebdff9c3204a *R/rc.expand.sample.names.R
94447cc9b4683a4b154c1b48e9b3e4c7 *R/rc.export.msp.rc.R
af22ee771ec9c4f5a2291a306358fb1e *R/rc.feature.cv.filter.R
72cea3a9ef5479f385dbbd527b0bf7da *R/rc.feature.filter.blanks.R
31c999d28a63cd1cfac3f3e122084915 *R/rc.feature.filter.cv.R
5cd076e8f7f62a3c535b540356990d69 *R/rc.feature.normalize.qc.R
07fe0f8b0034f958b169e35bed8a7e0e *R/rc.feature.normalize.tic.R
7ead2066cd74ff4d1f737017136924ef *R/rc.feature.replace.na.R
5cda58fd8b609ec50d35b43c770e341a *R/rc.get.xmcs.data.R
bc2ff5edf3e0622effcd3530d3771982 *R/rc.qc.R
bc269e2420f1b7db37fc8e039db63b10 *R/rc.ramclustr.R
5f79c77aad57c0cadc2e7aa42abcaeba *R/rc.remove.qc.R
672b2de182eb47febf7c265c8f005eec *R/rc.restore.qc.samples.R
50d34a065e524594ee967a1c144eebeb *R/write.methods.R
14db16b7fa6e65b97b0e68d46908dd08 *R/write.msp.R
5127052089ba4ca9f24228dd04596e40 *README.md
3006aedf6c672092f71e729ae30120a8 *build/vignette.rds
8cd33789586a15a52345e170296ab09b *inst/doc/RAMClustR.R
72af40e2dea390d5b05b2d2e1d63775c *inst/doc/RAMClustR.Rmd
0e4b9e79595e57a39331deef29902b35 *inst/doc/RAMClustR.html
56438333e0fbc60c1dc8746e8ff162e1 *inst/extdata/peaks.csv
9441bca4e0a92411f6dddf0feba4cb2b *inst/params/defparamsets.Rdata
cd53800ece259e64eddcef240da0ed1a *inst/params/greek.csv
90d8b70849428ed42fb15d61882c75f4 *inst/params/params.csv
7ecf372a3097898d11267a51da88ca22 *inst/params/paramsets.Rdata
d63e5d2b66299434b925272bf02b4d50 *inst/references.txt
d142a569e32b36d5f8dfe87b13dc319b *man/RCQC.Rd
0c41a813e3f1ebacd4169f3f462076c5 *man/annotate.Rd
f072ff66bcd8f3ca14675ddb2b559679 *man/annotation.summary.Rd
fb29efa5662188f4b9cf0e581e23decc *man/assign.z.Rd
d989ea3fe8328d93dabda7195d4d79dc *man/change.annotation.Rd
a60b89189894bbcf96a79a3521801689 *man/cmpd.summary.Rd
cbbd948d3dba20160011adc2f0dc62ba *man/defineExperiment.Rd
e40b6cad1203c8734d4e08dfef3302ff *man/do.findmain.Rd
3ce7f1b4fbb15cf54db89836cc5531f9 *man/export.msfinder.formulas.Rd
5b40cacceba2dcc7c5e51f3bd0722827 *man/exportDataset.Rd
7297201741de4ffe40aa4567b63e897f *man/findfeature.Rd
c3f307e08b6e85e488e6f1cb5b111b00 *man/findmass.Rd
9b069bb7041dcecb2944e6267ec4900c *man/fooddb2msfinder.Rd
acad853d4e68db9dc54b82f4e092d4ad *man/getData.Rd
24b203375ef96193d5dace0d9ecef997 *man/getSmilesInchi.Rd
01d4cc2b03ea0591292a03e5cdb7d1ad *man/impRamSearch.Rd
392e962b485054b0577006dc05088e13 *man/import.adap.kdb.Rd
e2b9f1097039739bdb426f68e5b4adf9 *man/import.msfinder.formulas.Rd
f805a1e4f39ad48a7b4221f42e3627bf *man/import.msfinder.mssearch.Rd
9fe853f985da9e0161c58a7260a9e899 *man/import.msfinder.structures.Rd
fd48556f7e0288064e05c3856c9fb02c *man/import.sirius.Rd
c0534021e2c243ec8cf864c8ce94b6e6 *man/manual.annotation.template.Rd
db0aef3c192a2f11e9e7d384470ebd39 *man/mergeRCobjects.Rd
0fa3d94d1b3a9e491ab04405c62390d9 *man/ramclustR.Rd
0f5d303e8a5b6278208e63036dc6125c *man/rc.calibrate.ri.Rd
21d5b9042eb5cb4288c196bf4b4b9e0b *man/rc.cmpd.filter.cv.Rd
da86a0e7979294090943e0d786009399 *man/rc.cmpd.get.classyfire.Rd
32caf89196566c62c87fe3e1b4f26674 *man/rc.cmpd.get.pubchem.Rd
ffbaf5b8415b8fd04be8aab955373465 *man/rc.cmpd.get.smiles.inchi.Rd
886dd3144a4a8f3c999e6fba6fa68a69 *man/rc.cmpd.replace.na.Rd
0efaa078969633236e6f238f76c763be *man/rc.expand.sample.names.Rd
13966eb25690a4defe513e9ee542d797 *man/rc.export.msp.rc.Rd
a47709587fb9246ecc21a05984ad6c65 *man/rc.feature.filter.blanks.Rd
c3ddd12863fa83ba88a072703ae5b540 *man/rc.feature.filter.cv.Rd
bed82167c844698721a0181d5386c97e *man/rc.feature.normalize.qc.Rd
c0b09ab64b35c419218016586931a28c *man/rc.feature.normalize.tic.Rd
0d3f5ffa6d1b66571f4735f4700af7d2 *man/rc.feature.replace.na.Rd
be2a1341f6207168e7c855a18cc85479 *man/rc.get.xcms.data.Rd
6968783eb9b872cb32bbec94ca468662 *man/rc.qc.Rd
aca86649a64f914e30c816e079720629 *man/rc.ramclustr.Rd
2ef8d5d6642a39b8c550a56b8cc1dd95 *man/rc.remove.qc.Rd
40a3a580a5813452c17e721c174d551c *man/rc.restore.qc.samples.Rd
a30df956f72e85697373855b7de3be81 *man/write.methods.Rd
03f50a48336f944b39b8601254fe33c4 *man/write.msp.Rd
f4bc1a6bd66792c2e7ed87f16ef02619 *tests/testthat.R
bcf76660e84bb7140d5381236411674c *tests/testthat/helper.R
8b9f617e85a1abe73d091bfa3606f093 *tests/testthat/test.R
e11dc0356ec67be9f4262834077e2ed7 *tests/testthat/testdata/output.msp
56438333e0fbc60c1dc8746e8ff162e1 *tests/testthat/testdata/peaks.csv
4913775114a00b6fa871ab11b971b61c *tests/testthat/testdata/ramclustObj.rds
bc398b99d09ef6ce2182ec467dc83f72 *tests/testthat/testdata/test.fillpeaks
620585bd7ac6a2f0f5cc69ab845eb97b *vignettes/ExpDes.csv
72af40e2dea390d5b05b2d2e1d63775c *vignettes/RAMClustR.Rmd
d3cedb405d0b5a87902db7f42c171092 *vignettes/spectra/test.mspLib
