OBJECT = COLUMN NAME = FRAGMENT_FORMULA DESCRIPTION = "Formula of the molecule fragment. Example: OH. Field is left-justified." DATA_TYPE = CHARACTER START_BYTE = 2 BYTES = 15 END_OBJECT = COLUMN OBJECT = COLUMN NAME = PEAK_CAL_TYPE DESCRIPTION = "Numerical identifier of the molecule's use in mass calibration. 0 denotes peaks used to calibrate GCU spectra (therefore typically abundant species in the GCU mix). 1 denotes peaks used for mass scale verification purposes only." DATA_TYPE = ASCII_INTEGER START_BYTE = 21 BYTES = 1 END_OBJECT = COLUMN OBJECT = COLUMN NAME = PEAK_FOUND DESCRIPTION = "Numerical identifier of the success or failure of the peak-finder to locate the peak within the parameters of the peak-finding algorithm in the peak's assumed bin search window." DATA_TYPE = ASCII_INTEGER START_BYTE = 25 BYTES = 1 END_OBJECT = COLUMN OBJECT = COLUMN NAME = PEAK_CENTER_BIN DESCRIPTION = "The peak center returned by the peak- finder routine, in bins. Allows for 10^-3 precision, even though bins are integer values, to allow for better peak-finding and fitting precision." DATA_TYPE = ASCII_REAL START_BYTE = 28 BYTES = 11 END_OBJECT = COLUMN OBJECT = COLUMN NAME = PEAK_WIDTH DESCRIPTION = "Width of the fitted Gaussian peak if if the curvefit was successful, or zero if the curvefit failed." DATA_TYPE = ASCII_REAL START_BYTE = 41 BYTES = 8 END_OBJECT = COLUMN OBJECT = COLUMN NAME = PEAK_HEIGHT DESCRIPTION = "The peak height returned by the peak- finder routine." DATA_TYPE = ASCII_REAL START_BYTE = 51 BYTES = 11 END_OBJECT = COLUMN OBJECT = COLUMN NAME = PPM_DEVIANCE DESCRIPTION = "The difference between the mass of the molecule in the calibrated mass scale (via this mass calibration table) from its known mass, in parts per million (ppm)." DATA_TYPE = ASCII_REAL START_BYTE = 65 BYTES = 11 END_OBJECT = COLUMN OBJECT = COLUMN NAME = "SPARE" DESCRIPTION = "Blank padding to fixed record length" DATA_TYPE = "CHARACTER" START_BYTE = 77 BYTES = 2 END_OBJECT = COLUMN