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);
}
