e0m2s0 JNerr X2red=18.16 No fitting on test.out 0.104 2.219 2.165 -0.05466 0.009842 30.84 0.207 1.305 1.326 0.0206 0.005466 14.2 0.311 1.025 1.043 0.01726 0.006491 7.072 0.415 1.356 1.381 0.02459 0.007415 11 0.519 0.4979 0.4524 -0.04554 0.008341 29.81 0.622 0.1921 0.09553 -0.09658 0.02429 15.82 0.726 0.4693 0.3912 -0.07815 0.01208 41.86 0.83 0 0.06215 0.06215 0.1142 0.2961 0.934 0.6359 0.5795 -0.05635 0.01138 24.5 1.037 0.1404 0.1228 -0.01756 0.04899 0.1285 1.141 0.1494 0.1303 -0.01909 0.05069 0.1418 1.245 0.3441 0.4098 0.06571 0.02696 5.939 e0m2s0 CGerr X2red=41.06 No fitting on test.out slightly smaller scalefactor 0.104 2.188 2.165 -0.02323 0.004139 31.5 0.207 1.287 1.326 0.03909 0.005388 52.62 0.311 1.011 1.043 0.03178 0.006399 24.67 0.415 1.337 1.381 0.0438 0.00731 35.9 0.519 0.4908 0.4524 -0.03849 0.008059 22.8 0.622 0.1894 0.09553 -0.09386 0.008466 122.9 0.726 0.4627 0.3912 -0.07151 0.009314 58.94 0.83 0 0.06215 0.06215 0.04504 1.904 0.934 0.6269 0.5795 -0.04734 0.01056 20.12 1.037 0.1384 0.1228 -0.01558 0.01091 2.037 1.141 0.1473 0.1303 -0.01697 0.01126 2.273 1.245 0.3392 0.4098 0.07058 0.01194 34.92 Both the following come from joint fit in H2s3.out CH3 very narrow, exceeds 1. Good water>0. EDP heads not so separated. H2e0m2sum2 X2red=4.00 Fit on both PC and JN sigI's. Tiny new q=1.1 lobe 0.104 2.115 2.102 -0.01254 0.009379 1.787 0.207 1.244 1.24 -0.003704 0.005209 0.5057 0.311 0.9772 0.9879 0.01072 0.006185 3.003 0.415 1.293 1.3 0.006924 0.007066 0.96 0.519 0.4745 0.4856 0.0111 0.007948 1.951 0.622 0.1831 0.2429 0.05984 0.02314 6.685 0.726 0.4472 0.4635 0.0163 0.01151 2.006 0.83 0 0.1375 0.1375 0.1088 1.596 0.934 0.606 0.5742 -0.03178 0.01085 8.579 1.037 0.1338 0.09523 -0.03855 0.04668 0.682 1.141 0.1424 0.1184 -0.02397 0.04831 0.2461 1.245 0.3279 0.3255 -0.002344 0.02569 0.008319 H2e0m2sum2 X2red=15.4 Fit on both PC and JN sigI's. Tiny new q=1.1 lobe 0.104 2.109 2.102 -0.006333 0.003989 2.521 0.207 1.24 1.24 -5.371e-05 0.005193 0.000107 0.311 0.9743 0.9879 0.01359 0.006167 4.853 0.415 1.289 1.3 0.01072 0.007046 2.313 0.519 0.4731 0.4856 0.01249 0.007768 2.587 0.622 0.1825 0.2429 0.06038 0.008159 54.75 0.726 0.4459 0.4635 0.01762 0.008977 3.851 0.83 0 0.1375 0.1375 0.04341 10.03 0.934 0.6042 0.5742 -0.03 0.01017 8.694 1.037 0.1334 0.09523 -0.03816 0.01052 13.16 1.141 0.142 0.1184 -0.02355 0.01085 4.708 1.245 0.3269 0.3255 -0.001382 0.01151 0.0144