public ChargeState mergeTheseChargeStates(ChargeState csToMerge) { if (csToMerge != null) { double totalIntensity = this.intensity + csToMerge.intensity; this.calculated_mass = (this.intensity * this.calculated_mass + csToMerge.intensity * csToMerge.calculated_mass) / totalIntensity; this.mz_centroid = (this.calculated_mass + 1.00727645D * this.charge_count) / this.charge_count; this.intensity = totalIntensity; } return(this); }
public string find_manual_inspection_component(IEnumerable <IAggregatable> components) { IAggregatable intense = components.OrderByDescending(c => c.intensity_sum).FirstOrDefault(); if (intense == null) { return(""); } ChargeState intense_cs = intense.charge_states.OrderByDescending(c => c.intensity).FirstOrDefault(); if (intense_cs == null) { return(""); } return("File: " + intense.input_file.filename + "; Scan Range: " + intense.min_scan + "-" + intense.max_scan + "; Charge State m/z (+" + intense_cs.charge_count.ToString() + "): " + intense_cs.mz_centroid + "; RT (min): " + intense.rt_apex); }