| 摘要 |
Mass data are typically not unique -I.e., each experimentally determined mass can match randomly one or several molecules in a database. Random matching between mass data and molecules in a database can cause false identification results. In order to minimize false results, random matching must be appropriately accounted for in a method for molecule identification. The invention provides a method to determine, for any molecule in a database and for any experimental and database search constraints, the probability that a particular number of matches between the mass data and masses of molecule constituents results from random matching. The method utilizes the determined probability for random matching to assign scores and rank molecules in a database. The invention further provides a method of generating a frequency function of scores for any experimental condition or database search constraints, wherein the scores relate to random identifications of molecules. Frequency functions are necessary and sufficient tools for testing the significance of a score associated with an identification of an unknown biological molecule.
|
