Fig. 5
Performance of the identification algorithm: fraction of correct reconstructed fragments and signal. A fragment is considered correct if its chemical formula is a subset of the chemical formula of the true molecular ion. The histogram for fragments is shown in grey and for signal in peach. Left: fraction of correct reconstructed fragments compared to all reconstructed fragments (grey); fraction of correct reconstructed signal compared to the sum of reconstructed signal (peach). Right: fraction of correct fragments from the top-10 likelihood list of fragments (grey); fraction of the associated correct signal compared to the signal reconstructed by the top-10 likelihood fragments (peach). If the number of reconstructed fragments is not more than 10, then the top-10 results have same value as the results considering all fragments. Two substances have fragments poorly identified: \(\text {CF}_{{4}}\) and \(\text {SO}_{{2}}\text {F}_{{2}}\). See text for "Discussion"