Here are the solutions from 100 runs(sorry for the long list). Would you please help to have a look?
Thanks a million.---Jerry Soln 1 Rot= 162.63 98.47 303.11 Trn= 26.48 73.35 105.32 CC= 0.452 R= 0.996 Soln 1 Rot= 111.26 104.75 41.63 Trn= 31.00 24.66 69.53 CC= 0.528 R= 0.961 Soln 2 Rot= 157.54 79.66 260.98 Trn= -14.86 57.85 124.36 CC= 0.513 R= 0.971 Soln 3 Rot= 113.99 91.61 264.87 Trn= 8.06 72.05 53.61 CC= 0.521 R= 0.946 Soln 4 Rot= 337.86 88.06 347.72 Trn= 4.17 75.16 127.45 CC= 0.520 R= 0.952 Soln 5 Rot= 146.81 78.67 75.86 Trn= 56.22 44.05 11.76 CC= 0.546 R= 0.941 Soln 6 Rot= 342.38 80.29 240.59 Trn= 73.71 6.92 85.48 CC= 0.582 R= 0.898 Soln 7 Rot= 321.28 101.88 329.83 Trn= 54.31 64.44 33.42 CC= 0.522 R= 0.967 Soln 8 Rot= 145.15 68.35 63.18 Trn= 73.90 11.90 91.09 CC= 0.545 R= 0.954 Soln 9 Rot= 162.94 101.78 301.17 Trn= -20.34 47.14 1.30 CC= 0.584 R= 0.892 Soln 10 Rot= 166.24 100.33 183.82 Trn= 5.93 64.49 55.04 CC= 0.537 R= 0.957 Soln 11 Rot= 333.36 94.38 303.46 Trn= 63.94 20.82 127.15 CC= 0.519 R= 0.953 Soln 12 Rot= 175.81 92.62 162.15 Trn= 48.20 37.76 12.37 CC= 0.514 R= 0.946 Soln 13 Rot= 359.03 57.14 234.96 Trn= -20.66 77.65 47.22 CC= 0.530 R= 0.949 Soln 14 Rot= 167.05 107.92 178.90 Trn= -32.85 65.33 96.19 CC= 0.545 R= 0.966 Soln 15 Rot= 350.98 29.83 44.82 Trn= -8.10 37.94 120.78 CC= 0.524 R= 0.957 Soln 16 Rot= 184.84 105.40 18.14 Trn= 67.66 39.49 14.13 CC= 0.509 R= 0.968 Soln 17 Rot= 304.53 52.96 238.53 Trn= 80.59 0.16 92.24 CC= 0.497 R= 0.967 Soln 18 Rot= 339.71 89.20 120.35 Trn= 64.77 13.44 83.29 CC= 0.514 R= 0.952 Soln 19 Rot= 166.17 97.98 319.60 Trn= -4.93 26.33 113.33 CC= 0.500 R= 0.972 Soln 20 Rot= 177.36 85.10 285.88 Trn= 56.63 20.33 12.66 CC= 0.520 R= 0.951 Soln 21 Rot= 336.13 92.27 305.89 Trn= 17.47 5.71 76.03 CC= 0.517 R= 0.951 Soln 22 Rot= 355.98 68.54 217.40 Trn= -23.88 47.54 120.73 CC= 0.529 R= 0.978 Soln 23 Rot= 291.68 75.51 137.91 Trn= 78.28 2.43 104.53 CC= 0.528 R= 0.960 Soln 24 Rot= 174.44 110.17 202.14 Trn= 52.50 3.31 9.91 CC= 0.534 R= 0.963 Soln 25 Rot= 162.68 100.62 59.90 Trn= 4.23 75.14 1.37 CC= 0.584 R= 0.894 Soln 26 Rot= 312.97 156.01 304.00 Trn= 7.59 32.89 124.82 CC= 0.498 R= 0.979 Soln 27 Rot= 337.74 94.26 42.32 Trn= 3.05 38.15 119.52 CC= 0.516 R= 0.960 Soln 28 Rot= 348.35 72.27 121.56 Trn= 55.07 8.17 77.60 CC= 0.542 R= 0.956 Soln 29 Rot= 343.30 78.23 358.20 Trn= 16.41 14.08 85.72 CC= 0.584 R= 0.890 Soln 30 Rot= 164.24 100.03 60.71 Trn= 51.06 48.06 88.46 CC= 0.581 R= 0.893 Soln 31 Rot= 313.33 42.12 123.12 Trn= 7.97 32.68 38.06 CC= 0.510 R= 0.974 Soln 32 Rot= 343.59 77.50 359.01 Trn= 16.54 68.19 42.23 CC= 0.584 R= 0.891 Soln 33 Rot= 342.42 80.30 240.46 Trn= 26.75 33.91 129.10 CC= 0.583 R= 0.895 Soln 34 Rot= 156.22 80.14 183.92 Trn= 54.43 41.33 11.32 CC= 0.536 R= 0.954 Soln 35 Rot= 159.62 137.49 132.22 Trn= 36.65 77.76 42.97 CC= 0.547 R= 0.946 Soln 36 Rot= 133.66 96.07 124.31 Trn= 32.78 23.18 11.54 CC= 0.521 R= 0.953 Soln 37 Rot= 300.33 86.94 286.01 Trn= 5.94 38.56 119.49 CC= 0.523 R= 0.950 Soln 38 Rot= 348.44 97.82 286.87 Trn= 65.97 43.64 1.05 CC= 0.524 R= 0.969 Soln 39 Rot= 137.08 80.87 328.12 Trn= 57.48 22.76 72.93 CC= 0.526 R= 0.947 Soln 40 Rot= 325.23 108.71 350.80 Trn= -9.07 27.08 45.15 CC= 0.534 R= 0.976 Soln 41 Rot= 164.88 113.78 48.57 Trn= 7.30 17.76 97.19 CC= 0.534 R= 0.954 Soln 42 Rot= 163.27 101.40 61.88 Trn= 4.00 21.22 44.79 CC= 0.584 R= 0.889 Soln 43 Rot= 292.62 133.66 249.87 Trn= -7.95 60.75 120.37 CC= 0.521 R= 0.940 Soln 44 Rot= 129.10 101.25 11.47 Trn= 19.75 46.82 0.67 CC= 0.529 R= 0.955 Soln 45 Rot= 333.46 97.93 119.71 Trn= 30.35 25.72 5.35 CC= 0.532 R= 0.938 Soln 46 Rot= 309.89 70.85 232.67 Trn= 15.98 34.33 69.16 CC= 0.500 R= 0.977 Soln 47 Rot= 347.87 92.61 39.46 Trn= -23.72 66.16 111.17 CC= 0.495 R= 0.990 Soln 48 Rot= 339.04 43.16 48.12 Trn= -10.05 57.51 43.93 CC= 0.547 R= 0.944 Soln 49 Rot= 333.86 146.88 262.49 Trn= 7.25 66.77 0.28 CC= 0.517 R= 0.942 Soln 50 Rot= 342.60 79.23 119.95 Trn= 50.97 60.27 85.66 CC= 0.584 R= 0.892 Soln 51 Rot= 149.45 80.28 75.52 Trn= 9.38 17.13 98.47 CC= 0.540 R= 0.945 Soln 52 Rot= 125.50 117.08 129.59 Trn= 7.97 27.45 48.21 CC= 0.509 R= 0.979 Soln 53 Rot= 162.42 72.13 6.02 Trn= -25.09 63.86 34.82 CC= 0.512 R= 0.957 Soln 54 Rot= 288.85 97.23 302.92 Trn= 32.91 21.23 19.83 CC= 0.527 R= 0.947 Soln 55 Rot= 300.72 87.57 167.67 Trn= 10.58 67.02 119.45 CC= 0.522 R= 0.954 Soln 56 Rot= 343.38 77.62 238.67 Trn= 73.47 7.48 85.75 CC= 0.584 R= 0.890 Soln 57 Rot= 345.98 65.40 118.41 Trn= -9.20 25.75 46.26 CC= 0.511 R= 0.960 Soln 58 Rot= 352.52 87.64 206.73 Trn= 65.26 37.12 127.62 CC= 0.505 R= 0.974 Soln 59 Rot= 295.75 81.01 144.81 Trn= 68.54 38.80 0.98 CC= 0.532 R= 0.954 Soln 60 Rot= 134.83 116.31 94.84 Trn= 66.49 36.90 124.94 CC= 0.505 R= 0.972 Soln 61 Rot= 160.22 73.76 134.66 Trn= 49.73 11.16 80.93 CC= 0.514 R= 0.954 Soln 62 Rot= 326.12 30.59 322.96 Trn= 17.17 29.49 124.50 CC= 0.517 R= 0.968 Soln 63 Rot= 325.51 114.10 237.26 Trn= -0.05 22.88 39.52 CC= 0.544 R= 0.954 Soln 64 Rot= 347.56 59.67 144.34 Trn= -7.90 63.37 43.06 CC= 0.504 R= 0.986 Soln 65 Rot= 332.84 51.90 178.31 Trn= -0.47 12.68 33.40 CC= 0.553 R= 0.932 Soln 66 Rot= 123.20 18.17 288.10 Trn= -10.09 53.83 49.89 CC= 0.536 R= 0.922 Soln 67 Rot= 150.99 123.64 239.32 Trn= 57.30 34.26 10.19 CC= 0.555 R= 0.946 Soln 68 Rot= 145.64 117.44 230.02 Trn= 57.11 36.41 10.73 CC= 0.547 R= 0.945 Soln 69 Rot= 174.45 106.99 71.67 Trn= 28.12 10.61 81.88 CC= 0.530 R= 0.972 Soln 70 Rot= 348.09 72.76 122.17 Trn= 8.09 35.25 121.08 CC= 0.543 R= 0.956 Soln 71 Rot= 19.70 39.36 341.98 Trn= 59.17 48.15 80.93 CC= 0.505 R= 0.965 Soln 72 Rot= 112.93 87.39 140.76 Trn= -18.28 52.09 53.80 CC= 0.520 R= 0.935 Soln 73 Rot= 325.94 115.01 14.38 Trn= 26.64 80.82 112.90 CC= 0.496 R= 0.999 Soln 74 Rot= 295.27 162.24 121.66 Trn= 4.54 45.62 124.07 CC= 0.536 R= 0.918 Soln 75 Rot= 325.74 103.24 220.82 Trn= 27.37 27.74 75.14 CC= 0.545 R= 0.938 Soln 76 Rot= 311.21 78.27 167.47 Trn= 20.26 61.75 43.16 CC= 0.528 R= 0.957 Soln 77 Rot= 344.95 84.35 242.92 Trn= -19.42 74.37 45.33 CC= 0.521 R= 0.961 Soln 78 Rot= 328.15 106.52 359.28 Trn= 47.27 48.55 72.53 CC= 0.516 R= 0.960 Soln 79 Rot= 332.49 49.11 304.20 Trn= 8.05 23.32 14.71 CC= 0.524 R= 0.963 Soln 80 Rot= 325.35 113.94 357.59 Trn= -27.00 69.82 39.56 CC= 0.544 R= 0.954 Soln 81 Rot= 331.75 98.98 99.36 Trn= -16.69 41.91 126.29 CC= 0.520 R= 0.969 Soln 82 Rot= 333.69 98.05 119.24 Trn= 30.23 79.72 92.38 CC= 0.531 R= 0.943 Soln 83 Rot= 138.62 111.17 226.71 Trn= 47.49 64.93 115.99 CC= 0.508 R= 0.959 Soln 84 Rot= 326.14 107.62 353.07 Trn= 37.82 0.17 1.65 CC= 0.534 R= 0.978 Soln 85 Rot= 340.41 63.67 12.05 Trn= 16.28 64.65 51.04 CC= 0.539 R= 0.949 Soln 86 Rot= 343.34 77.77 238.53 Trn= 26.52 34.59 129.27 CC= 0.584 R= 0.888 Soln 87 Rot= 342.78 98.22 164.40 Trn= 12.43 43.05 38.46 CC= 0.510 R= 0.974 Soln 88 Rot= 167.35 105.70 302.94 Trn= 25.05 76.73 96.06 CC= 0.547 R= 0.961 Soln 89 Rot= 288.16 104.18 0.96 Trn= 55.58 50.82 12.16 CC= 0.502 R= 0.958 Soln 90 Rot= 164.01 113.60 62.68 Trn= -10.46 44.75 0.60 CC= 0.520 R= 0.962 Soln 91 Rot= 166.00 111.67 63.17 Trn= 70.94 17.37 97.57 CC= 0.542 R= 0.971 Soln 92 Rot= 321.79 67.76 78.97 Trn= 67.19 0.14 37.18 CC= 0.527 R= 0.946 Soln 93 Rot= 300.64 74.42 26.24 Trn= 73.71 0.29 33.57 CC= 0.514 R= 0.967 Soln 94 Rot= 144.86 68.80 303.85 Trn= 46.47 57.94 91.04 CC= 0.544 R= 0.952 Soln 95 Rot= 167.74 99.32 54.48 Trn= 5.67 76.04 2.07 CC= 0.548 R= 0.948 Soln 96 Rot= 327.22 104.42 342.85 Trn= 9.89 16.47 31.50 CC= 0.546 R= 0.941 Soln 97 Rot= 290.59 90.78 145.21 Trn= 10.49 17.05 33.35 CC= 0.523 R= 0.961 Soln 98 Rot= 295.07 125.26 327.26 Trn= -26.47 64.07 32.22 CC= 0.531 R= 0.954 Soln 99 Rot= 150.61 76.41 323.25 Trn= 43.58 6.38 4.41 CC= 0.520 R= 0.969 Soln 100 Rot= 350.86 72.88 229.34 Trn= 25.41 29.56 78.19 CC= 0.529 R= 0.958 From: b...@ruppweb.org To: for-crystallizai...@hotmail.com Subject: RE: [ccp4bb] EPMR statistics Date: Fri, 17 Jul 2009 13:43:23 -0700 How’s the solution landscape look? Discriminate or flat? The R is scaling dependent in contrast to CC, so for incomplete models it can be nonsensical. BR From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of Jerry McCully Sent: Friday, July 17, 2009 10:46 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] EPMR statistics Dear ALL: We are trying to do a molecular replacement using EPMR. IT is weird that we got high CC(0.56) but with high R factor about 0.89 as well. How can we optimize our EPMR trials to get a definitive correct solutions? Thanks a lot for the help. Have a nice weekend! Jerry McCully Lauren found her dream laptop. Find the PC that’s right for you. _________________________________________________________________ Lauren found her dream laptop. Find the PC that’s right for you. http://www.microsoft.com/windows/choosepc/?ocid=ftp_val_wl_290
