ef63b4618781f532d3ffc545f1c7307c *DESCRIPTION
733bc9cc1cba5514877c82d573559dfd *NAMESPACE
b619e1bbe449c28303fbd19e364fd44e *R/CountChemicalElements.R
8da8b9166efe6a82849ffb10d6a20b79 *R/DetermineIsomainPeaks.R
4cecb81e68486e56381feee46ceca79d *R/GenerateMetaboliteSQLiteDB.R
5062be34f479d871bf51dbfee2d6f7de *R/GetGroupFactor.R
76ee07aef8b7caf777f1b0d7668dc6d2 *R/GetIsotopeDistribution.R
f88534c299acd2dd79106a8042882dd4 *R/IMS_parallel.R
51143728c2a65a5f87460f66b3f710b9 *R/InterpretMSSpectrum.R
62487cf8695b9920318808f14a93c67f *R/InterpretTP.R
1a99c0cb3d135336d1384703452faac7 *R/PlausibleFormula.R
7841d2c1bba19eb0e2a504936d219894 *R/PlotSpec.R
aa0d35525b4d750f2a3802a0cd81852f *R/ReadSpecClipboard.R
4f8301c1e0e98f67ef248ec3fe0de6dd *R/RestrictByTypicalLosses.R
691d7aa4a29e0219709079cacb19efcc *R/ScoreFormulaCombination.R
90511786fff0cbb039f1cf14e7ab47c6 *R/check_param.R
a195ae8ae7b230a4948f48c5c68556a3 *R/data.R
e6c45571f792eca2eb5bc2c7e6d9668f *R/findMAIN.r
24119bb2c9c28eea39d46e1f93bc7d49 *R/findiso.R
34fd9572ee48860e7c1a0296ee75458b *R/getNeutralMass.R
ac2ea39fa90cf5202fd983a530e328af *R/getRuleFromIonSymbol.R
4c5c1cccc698bbcf4eddab2cf4c711c8 *R/get_exactmass.R
68bfb417dddfbdecddb93d3ffd82e9e9 *R/is.subformula.R
6910a580b1fafa972075b0db4f5bccec *R/mScore.R
3b70a89e2ee2ddf86cb7396f2b2a998d *R/sendToMSF.r
4acb4629cec32d3af05dffb102612322 *R/summary.findMAIN.R
66b7d2e3745929eedb665e5c6615e07e *R/writeMSF.r
cdd832146b3274d944e7f435a70c36f6 *README.md
a265c95f27f2cc4c933294d5c03c93eb *data/Adducts.RData
7ca678215e3e9548dd53fa19367b5b5e *data/OrbiMS1.RData
a0fdec89d4e9b280d40270449d6767d3 *data/apci_spectrum.rda
177e2b4004d43c2ca46764ed94c74af9 *data/chemical_elements.RData
aaa5c2723ac8ee19648e6a0146e8b67a *data/esi_spectrum.rda
19464626c0495edf911bb4f4ec6feed3 *data/neutral_losses_APCI.rda
58795553bc10af424fe85631e0d80c41 *data/neutral_losses_ESI.rda
7f9790471cffee9f9082c5425de6d394 *data/param.default.rda
0fe337ad752ef34fbdbec700e3a08957 *inst/CITATION
3ca5369c070c19044564d389e586d798 *inst/extdata/APCI_min.db
03c7b3d943e13f482ff7f1af21ea9985 *man/Adducts.Rd
e2e51c5c178bacad57fd5f2ba8abe8fe *man/CountChemicalElements.Rd
319522ef4d1151f5a92a9cc804a20ee3 *man/GenerateMetaboliteSQLiteDB.Rd
2ced9a303373ba14a89c6fdccf3dfe54 *man/GetGroupFactor.Rd
4c8ef8d9e90ee496eb711ba5c7bc8e8d *man/IMS_parallel.Rd
f3b27644fd4413c5b84e3c43eaf1f8b0 *man/InterpretMSSpectrum.Rd
4811b525ce212b2459462a0560724d7e *man/InterpretTP.Rd
4ec63cc32b638e9893cedf30b74f78d3 *man/OrbiMS1.Rd
b8ef72ac11ad20bd7d89688970cec6b9 *man/PlotSpec.Rd
1ccd997ea956459062de3deafc0cad62 *man/ReadSpecClipboard.Rd
c5b13a93a93a06e092ad0b25f8ee0752 *man/apci_spectrum.Rd
38ac444dcde322d787dc43e37116092a *man/chemical_elements.Rd
d2c27cddc2530cef620d7e5f2f436f9f *man/esi_spectrum.Rd
1180f96c25986cac68645fde46463ee4 *man/figures/README-exmpl1-1.png
eece4adeaeb34cf404927f8636973e56 *man/figures/README-exmpl2-1.png
4fa88c1984da6a6248fb00f52f5ac871 *man/findMAIN.Rd
b53b58e05cc3e9d18f9bf165966fe92c *man/get_exactmass.Rd
e6bd2b240cca38eb5ca1e2d05389e82e *man/mScore.Rd
6f1b445cb20ad35d30e4bc4376704ebe *man/neutral_losses_APCI.Rd
4082109d3522c514b2a67f6170fe05fc *man/neutral_losses_ESI.Rd
1ae87b0386c1305f6cc15cbe1295456f *man/param.default.Rd
7b064aebd2647629ff037d02fffc8708 *man/sendToMSF.Rd
18526d567cb0f831408fe35bb89ddff0 *man/writeMSF.Rd
a986a389c4fec839aec05fd78f822f6a *tests/testthat.R
d1af6ffd1e3fe109be867d01fbaef513 *tests/testthat/_snaps/PlotSpec/plotspec-01.svg
452153426857da91e5809d370e65e63b *tests/testthat/_snaps/PlotSpec/plotspec-02.svg
fe28053ba1af50083d2d5bae4b3f8ccc *tests/testthat/_snaps/findMAIN/findmain-plot-01.svg
d22f5b7001a37d0e86517a195efc3f68 *tests/testthat/test-CountChemicalElements.R
dc6bfcc94502c661c12ed1fc361d3594 *tests/testthat/test-DetermineIsomainPeaks.R
6cd405c16bbd1b32d68462b7fba341fb *tests/testthat/test-GenerateMetaboliteSQLiteDB.R
8c3a78ff03ddafefb9b33308354afbae *tests/testthat/test-GetIsotopeDistribution.R
e8f19b684e7c6b3be955dea5b0253c4f *tests/testthat/test-InterpretMSSpectrum.R
1f8495aefcb2becf1d3b28d9906dc5a4 *tests/testthat/test-InterpretTP.R
e30e510c0b20eaad4652b43af4baa1ed *tests/testthat/test-PlotSpec.R
3814435b0ce613703583ace723c220de *tests/testthat/test-ReadSpecClipboard.R
abb6ec8482090025fd94742c2dd709c0 *tests/testthat/test-check_param.R
7199f0a20f8cc97ceef9a07918656675 *tests/testthat/test-findMAIN.R
c8384e039f7753b873888e5ad70cbf68 *tests/testthat/test-get_exactmass.R
983391fea564c05180c6e2c98a018bdf *tests/testthat/test-is.subformula.R
