def calc_carbon_isotopes(pks, d13cstd, ks='Craig', d18ostd=23.5): # get functions to tell us what the ratios of the standards # should be over the course of the run r45 = ratio_f(pks, r2=45, r1=44) r46 = ratio_f(pks, r2=46, r1=44) if r45 is None or r46 is None: for pk in pks: del pk.info['p-d13c'] return for pk in pks: # determine the peak areas for our peak and an interpolated standard r45sam = pk.area(45) / pk.area(44) r46sam = pk.area(46) / pk.area(44) r45std = r45(pk.time()) r46std = r46(pk.time()) # determine the d13c value and assign it to the peaks info dict d13c = delta13C_Santrock(r45sam, r46sam, d13cstd, \ r45std, r46std, ks, d18ostd) pk.info['p-d13c'] = d13c
def test_delta13c(): r45sam, r46sam = 1.1399413, 1.5258049 d13cstd = -43.411 r45std, r46std = 1.1331231, 1.4058630 d13c = delta13C_Santrock(r45sam, r46sam, d13cstd, r45std, r46std, ks="Isodat", d18ostd=-21.097) assert abs(d13c - (-40.30)) < 0.002