Files in YasinEl/mzRAPP

Benchmark Dataset Generation and Non-Targeted Data Pre-Processing Assessment

R/GenerateMassTraceList.R R/GetFWXM.R R/GetSharpness.R R/GetZigzagIDX.R R/Get_MZ_list.R R/Get_peak_vars.R R/Helper_functions.R R/LazyPeakIntegration_peaks.R R/Limit_Target_list.R R/Skyline_functions.R R/alignment_error_plot.R R/assemble_peaks.R R/assess_alignment.R R/callmzRAPP.R R/check_IR_biases.R R/check_missing_peaks.R R/clean_peak_assignments.R R/comp_classify_false_negative.R R/comp_count_max_error.R R/comp_feature_compare.R R/comp_find_best_feature_feature.R R/comp_find_r_s_error.R R/comp_functions.R R/comp_funktionen_fuer_alignment.R R/comp_generate_options.R R/comp_generate_results_text.R R/comp_import_Metaboanalyst.R R/comp_import_benchmark.R R/comp_import_compd.R R/comp_import_elmaven.R R/comp_import_msdial.R R/comp_import_mzMine.R R/comp_import_openms.R R/comp_import_slaw.R R/comp_import_xcms.R R/comp_peak_compare.R R/comp_pick_algo.R R/comp_pick_main_feature.R R/comp_pick_main_peak.R R/cutout_peak.R R/detect_double_peaks.R R/getEICfromROI_par.R R/get_EIC_table.R R/get_pot_peak_ranges.R R/globals.R R/match_NPPpeaks_to_NPPfeatures.R R/match_features_to_benchmark.R R/match_peaks_to_benchmark.R R/match_peaks_to_benchmark_split.R R/metrics_per_molecule.R R/plot_Peak.R R/plot_bench_histo.R R/plot_bench_overview.R R/plot_bench_peak_overview.R R/plot_comp_dist_of_found_peaks.R R/plot_comp_iso_pred_error.R R/plot_comp_missing_value_hm.R R/plot_comp_peak_overview.R R/plot_comp_scatter_plot.R R/predict_Iso.R R/sunburst_plots.R README.Rmd README.md inst/md/README.Rmd inst/md/mzRAPP_report_template.Rmd man/Alignment_error_plot.Rd man/File_con_test.Rd man/GetFWXM.Rd man/GetSharpness.Rd man/GetZigzagIDX.Rd man/Get_MZ_list.Rd man/Get_peak_vars.Rd man/Limit_Target_list.Rd man/SkylinePeakBoundaries.Rd man/SkylineTransitionList.Rd man/as.sunburstDF.Rd man/assemble_peaks.Rd man/assess_alignment.Rd man/best_feature_per_comparison.Rd man/callmzRAPP.Rd man/check_IR_biases.Rd man/check_benchmark_input.Rd man/check_missing_peaks.Rd man/check_nonTargeted_input.Rd man/classify_false_negative.Rd man/clean_peak_assignments.Rd man/compare_peaks.Rd man/count_alignment_errors.Rd man/count_errors_max.Rd man/cutout_peaks.Rd man/derive_performance_metrics.Rd man/detect_double_peaks2.Rd man/feature_compare.Rd man/find_bench_peaks.Rd man/find_best_feature_feature.Rd man/find_r_s_error.Rd man/generate_options.Rd man/getXIC.Rd man/get_EIMatches_BM_NPPpeaks.Rd man/get_ROIs.Rd man/get_avg_noise.Rd man/get_main_UT_groups.Rd man/get_mz_table.Rd man/get_pot_peak_ranges2.Rd man/import_grouped_Metaboanalyst.Rd man/import_grouped_elmaven.Rd man/import_grouped_msdial.Rd man/import_grouped_mzmine.Rd man/import_grouped_openms.Rd man/import_grouped_slaw.Rd man/import_grouped_xcms.Rd man/import_options.Rd man/import_ungrouped_Metaboanalyst.Rd man/import_ungrouped_cd.Rd man/import_ungrouped_elmaven.Rd man/import_ungrouped_msdial.Rd man/import_ungrouped_mzmine.Rd man/import_ungrouped_openms.Rd man/import_ungrouped_slaw.Rd man/import_ungrouped_xcms.Rd man/match_NPPpeaks_to_NPPfeatures.Rd man/match_features_to_benchmark.Rd man/match_peaks_to_benchmark.Rd man/match_peaks_to_benchmark_split.Rd man/metrics_per_molecule.Rd man/pick_main_feature.Rd man/pick_main_feature_sd.Rd man/pick_main_peak.Rd man/pick_main_peak_sd.Rd man/plot_IR_peaks.Rd man/plot_Peak.Rd man/plot_Peak_per_mol.Rd man/plot_Peak_with_predicted_peak.Rd man/plot_bench_histo.Rd man/plot_bench_overview.Rd man/plot_bench_peak_overview.Rd man/plot_comp_dist_of_found_peaks.Rd man/plot_comp_iso_pred_error.Rd man/plot_comp_missing_value_hm.Rd man/plot_comp_peak_overview.Rd man/plot_comp_scatter_plot.Rd man/plot_sunburst_alignment.Rd man/plot_sunburst_peakQuality.Rd man/plot_sunburst_peaks.Rd man/plotly_click_wo_warnings.Rd man/predict_Iso.Rd man/reIndexFeatures.Rd man/remove_identical_peaks.Rd man/rename_columns_from_options.Rd man/round_woe.Rd man/top_to_x.Rd vignettes/Vignette_mzRAPP_Example_workflow.Rmd