The manuscript as a whole needs careful proof reading and language editing, e.g. paragraph starting line 323 is unclear due to language/grammar, repeated use of were instead of where in the manuscript, equation numbering etc.

The authors should provide a general quantification of "high" versus "low" correlation for the whole manuscript and quantify the significance of an increased r2 (0.894 vs 0.861) after modifying the fragmentation table.

The equation provided for multi-linear regression (eq 6 --> should be eq 7?) is given for the bilinear case, with the first parameter explained right after refering to trilinear regression. This is adding unnecessary confusion. Make a clear description of what is done in the multilinear regression, also using full sentences in the description on MLR 1-3 and make sure Table 1 is formated to provide an easy overview of the results.

Right hand axis label in Figure 8 should presumably read N2O5 instead of NO2O5.