PredictPeaks is missing peaks

[Vickie Lynch]

PredictPeaks does not have peaks with h<0 or k>0 that are found by ISAW.

[Vickie Lynch]

I assumed that PredictPeaks was not finding these peaks, but when I ran SaveIsawPeaks they were there. The problem is that they integrate to zero in Mantid and SaveHKL does not write them. Here is a list of problem peaks for 3680-3685:

-9 2 1 376.08 23.1 2 0.95 0.15 3681 205 0.94 36 2.45 0.5

-9 3 -6 33.18 6.33 2 0.83 0.14 3681 212 0.95 37 1.95 0.5

-9 4 -7 1043.9 56.31 2 0.76 0.14 3681 213 0.95 37 1.71 0.51

9 -4 7 925.81 52.51 5 0.76 0.14 3684 711 0.95 37 1.71 0.51

-5 -3 13 303.01 22.26 3 0.81 0.14 3682 369 0.95 37 1.86 0.51

-4 9 -7 988.71 63.15 1 0.68 0.13 3680 6 0.95 18 1.48 0.51

-4 5 -21 1168.3 63.72 1 0.83 0.14 3680 155 0.95 57 1.9 0.51

7 1 -9 236.36 28.87 6 0.61 0.13 3685 895 0.95 38 1.28 0.51

4 -5 21 1185.33 61.76 4 0.83 0.14 3683 502 0.95 17 1.91 0.51

-7 -1 9 277.76 30.93 3 0.61 0.13 3682 381 0.95 38 1.28 0.51

-6 -2 11 823.38 52.52 3 0.73 0.14 3682 354 0.95 27 1.58 0.51

-6 8 -11 839.97 44.21 1 0.91 0.15 3680 14 0.95 26 2.19 0.51

6 2 -11 821.4 54.48 6 0.73 0.14 3685 934 0.95 47 1.57 0.51

6 -8 11 907.95 47.04 4 0.91 0.15 3683 592 0.95 46 2.19 0.51

9 -5 5 682.57 46.1 5 0.73 0.14 3684 769 0.95 47 1.57 0.52

-9 5 -5 782.99 50.63 2 0.73 0.14 3681 195 0.95 27 1.58 0.52

-5 -4 5 759.61 49.22 3 0.75 0.14 3682 425 0.95 47 1.62 0.52

5 4 -5 772.58 49.44 6 0.75 0.14 3685 868 0.95 27 1.62 0.52

-9 3 0 1408.46 69.15 2 0.92 0.15 3681 189 0.95 26 2.2 0.52

-9 5 4 888.94 50.54 2 0.8 0.14 3681 171 0.95 17 1.78 0.52

9 -3 0 1749.86 81.91 5 0.92 0.15 3684 759 0.95 46 2.2 0.52

4 -9 4 284.18 27.16 4 0.66 0.13 3683 663 0.95 58 1.38 0.52

9 -5 -4 879.26 51.73 5 0.8 0.14 3684 825 0.95 57 1.77 0.52

-9 4 -4 922.68 48.19 2 0.83 0.14 3681 214 0.95 37 1.83 0.52

9 -4 4 940.65 48.51 5 0.83 0.14 3684 710 0.95 37 1.84 0.52

-4 9 -4 934.59 61 1 0.67 0.13 3680 7 0.95 18 1.39 0.52

-3 4 -7 114.1 4.74 1 1.73 0.15 3680 18 0.94 26 2.19 0.97

-6 7 -13 158.11 12.73 1 0.99 0.15 3680 34 0.94 36 2.38 0.53

-4 7 -14 61.27 7.63 1 0.87 0.14 3680 45 0.95 37 1.85 0.55

-2 7 -12 256.24 23.11 1 0.68 0.13 3680 54 0.95 38 1.3 0.56

-3 4 -19 84.59 8.07 1 0.9 0.14 3680 156 0.95 57 1.76 0.59

-4 2 0 15.09 0.84 2 1.89 0.14 3681 178 0.95 17 1.84 1.19

-8 3 1 286.48 16.04 2 1.03 0.15 3681 190 0.95 26 2.15 0.59

-7 1 1 164.79 8.81 2 1.21 0.15 3681 209 0.94 36 2.61 0.63

-4 -3 14 71.68 7.67 3 0.93 0.15 3682 349 0.95 26 2.02 0.55

-3 -4 13 27.89 3.96 3 1.02 0.15 3682 350 0.95 26 2.26 0.56

-6 -1 13 123.21 14.35 3 0.72 0.14 3682 356 0.95 27 1.5 0.53

-2 -5 12 257.71 14.02 3 1.06 0.15 3682 362 0.94 36 2.48 0.56

-3 -5 8 70.39 6.89 3 0.96 0.15 3682 411 0.95 46 2.1 0.55

-3 -4 7 16.94 2.41 3 1.07 0.15 3682 413 0.95 46 2.02 0.63

-4 -4 0 99.1 10.63 3 0.76 0.13 3682 490 0.95 58 1.4 0.59

1 -3 19 236.03 17.87 4 0.75 0.13 3683 507 0.95 18 1.29 0.63

3 -4 13 123.67 6.36 4 1.27 0.15 3683 514 0.95 26 2 0.75

6 -6 12 1094.79 46.03 4 1.12 0.15 3683 536 0.94 36 2.59 0.58

2 -2 4 122.66 4.51 4 3.35 0.15 3683 529 0.94 36 2.59 1.74

4 4 0 111.64 11.66 6 0.77 0.13 3685 853 0.95 18 1.41 0.59

3 5 -8 70.47 7.06 6 0.96 0.15 3685 861 0.95 26 2.12 0.55

1 4 -9 908.23 33.96 6 1.48 0.15 3685 871 0.94 36 2.63 0.76

[Stuart Campbell]

This ticket has been transferred to github issue ​4934