Files in scottwalmsley/wSIMCity
Searching wide SIM - wide-MS2 data (DIA) for neutral losses
.Rbuildignore
.gitignore
DESCRIPTION
LICENSE
NAMESPACE
R/assign_isotopes.R
R/compute_alignment_stats.R
R/compute_formula.R
R/compute_group_data.R
R/count_peak_groups.R
R/create_hit_table.R
R/create_ref_table.R
R/data.R
R/fct_algorithms.R
R/fct_other.R
R/fct_plot.R
R/findIsotopes.R
R/findIsotopesPspec.R
R/find_known_adducts.R
R/get_alignment_data.R
R/get_formula_counts.R
R/groupFWHM.R
R/join_align.R
R/merge_tables.R
R/plot_candidate.R
R/plot_dna_adduct_map.R
R/plot_peak_group.R
R/plot_plotly.R
R/refine_table.R
R/search_NLM.R
R/search_delta_mass.R
R/search_filter.R
R/set_scan_def.R
README.md
data/mdnadb.rdata
images/DIA_scanning.png
images/EIC_ABP.png
images/dR_map.png
images/diag.png
images/mechanism.png
images/model.png
images/total_model.png
inst/fct_agorithms.py
inst/open_mzml_file.py
inst/search_delta_mass.py
inst/test.py
man/assign_isotopes.Rd
man/calcIsotopeMatrix.Rd
man/compute_formulae.Rd
man/compute_group_data.Rd
man/count_peak_groups.Rd
man/createTables.Rd
man/create_hit_table.Rd
man/create_ref_table.Rd
man/delta_formula.Rd
man/findIsotopes.Rd
man/findIsotopesPspec.Rd
man/find_known_adducts.Rd
man/find_peaks.Rd
man/getAlignmentData.Rd
man/getMassTolRange.Rd
man/getPeak.Rd
man/getValid.Rd
man/get_atom_counts.Rd
man/get_hit_table.Rd
man/groupFWHM.Rd
man/join_align.Rd
man/list.dirs.depth.n.Rd
man/mdnadb.Rd
man/merge_tables.Rd
man/naOmit.Rd
man/plotPeak.Rd
man/plotPeak.plotly.Rd
man/plot_candidate.Rd
man/plot_dna_adduct_map.Rd
man/plot_peak_group.Rd
man/ppmErr.Rd
man/refine_table.Rd
man/search_NLM.Rd
man/search_delta_mass.Rd
man/search_filter.Rd
man/setScanDef.Rd
man/similarityScore_gauss.Rd
man/similarityScore_laplace.Rd
vignettes/.gitignore
wSIMCity.Rproj
