reading from a file: /net/data/d6/HTP2002/group1/peak1_001.x reading from a file: /net/data/d6/HTP2002/group1/peak1_002.x reading from a file: /net/data/d6/HTP2002/group1/peak1_003.x reading from a file: /net/data/d6/HTP2002/group1/peak1_004.x reading from a file: /net/data/d6/HTP2002/group1/peak1_005.x reading from a file: /net/data/d6/HTP2002/group1/peak1_006.x reading from a file: /net/data/d6/HTP2002/group1/peak1_007.x reading from a file: /net/data/d6/HTP2002/group1/peak1_008.x reading from a file: /net/data/d6/HTP2002/group1/peak1_009.x reading from a file: /net/data/d6/HTP2002/group1/peak1_010.x reading from a file: /net/data/d6/HTP2002/group1/peak1_011.x reading from a file: /net/data/d6/HTP2002/group1/peak1_012.x reading from a file: /net/data/d6/HTP2002/group1/peak1_013.x reading from a file: /net/data/d6/HTP2002/group1/peak1_014.x IP fitted, no o 383 1.1795 1.16 0 16 98 7 0 282 3063 0 IP fitted, no o 384 1.1825 1.10 0 9 128 4 0 285 3141 0 IP fitted, no o 385 1.1577 1.07 0 11 92 4 0 277 3053 0 IP fitted, no o 386 1.1727 1.12 0 8 94 5 0 281 3137 0 IP fitted, no o 387 1.1836 1.08 0 0 100 0 0 274 3123 0 IP fitted, no o 388 1.1851 1.15 0 1 92 1 0 272 3119 0 IP fitted, no o 389 1.1769 1.10 0 1 88 1 0 268 3133 0 IP fitted, no o 390 1.1838 1.07 0 16 90 12 0 272 3059 0 IP fitted, no o 391 1.1832 1.06 0 14 100 7 0 279 3175 0 IP fitted, no o 392 1.1752 0.93 0 16 134 11 0 279 3098 0 IP fitted, no o 393 1.1474 0.89 0 23 120 9 0 278 3118 0 IP fitted, no o 394 1.1840 1.03 0 23 100 16 0 273 3102 0 IP fitted, no o 395 1.1784 1.04 0 21 120 10 0 263 3105 0 IP fitted, no o 396 1.1740 0.95 0 6 110 2 0 261 3137 0 IP fitted, no o 397 1.1679 0.98 0 6 98 3 0 275 3117 0 IP fitted, no o 398 1.1680 0.89 0 19 96 7 0 272 3115 0 IP fitted, no o 399 1.1629 0.69 0 20 128 12 0 288 3117 0 IP fitted, no o 400 1.1516 0.71 0 21 150 11 0 271 3190 0 Summary of reflection intensities and R-factors by batch number All data Linear Batch # obs # obs > 1 N. Chi**2 R-fac 1 1114 1113 6.5 1.276 0.096 2 2855 2855 6.0 1.789 0.107 3 3062 3060 6.4 1.516 0.104 4 2991 2991 6.4 1.407 0.106 5 3118 3117 6.3 1.704 0.109 6 2990 2990 6.2 1.650 0.111 7 3160 3158 6.6 1.562 0.102 8 2997 2995 6.3 1.557 0.109 9 3066 3066 6.5 1.636 0.103 10 3108 3106 6.5 1.605 0.106 11 3036 3034 6.4 1.725 0.112 12 3112 3109 6.4 1.500 0.104 13 3070 3069 6.7 1.674 0.104 14 3023 3023 6.4 1.546 0.101 15 3098 3097 6.4 1.629 0.106 16 2990 2990 6.6 1.506 0.099 17 3056 3055 6.6 1.649 0.107 18 3068 3067 6.6 1.575 0.103 19 2984 2984 6.5 1.534 0.100 20 3045 3045 6.6 1.568 0.101 21 3081 3081 6.6 1.447 0.102 22 3083 3083 6.7 1.695 0.105 23 3091 3091 6.6 1.515 0.103 24 3069 3068 6.7 1.595 0.101 25 3108 3108 6.7 1.663 0.103 26 3004 3004 6.6 1.557 0.104 27 3021 3021 6.6 1.732 0.103 28 3035 3035 6.7 1.437 0.098 29 3026 3026 6.8 1.663 0.103 30 3117 3117 6.7 1.457 0.099 31 3168 3168 6.8 1.531 0.103 32 3040 3040 6.6 1.727 0.107 33 3019 3019 6.5 1.514 0.102 34 2987 2987 7.0 1.495 0.098 35 3050 3049 6.9 1.682 0.105 36 3137 3137 6.8 1.536 0.101 37 3066 3066 6.7 1.545 0.106 38 3024 3024 6.8 1.516 0.103 39 3003 3003 7.0 1.760 0.102 40 3077 3077 6.9 1.586 0.101 41 3119 3119 6.8 1.535 0.100 42 3109 3109 7.1 1.495 0.098 43 3020 3020 7.0 1.627 0.101 44 2961 2961 6.9 1.565 0.103 45 3147 3147 6.8 1.626 0.102 46 3087 3086 7.1 1.592 0.101 47 3043 3042 7.1 1.972 0.104 48 3004 3004 7.0 1.793 0.100 49 3165 3164 7.2 1.655 0.100 50 3064 3064 6.8 1.602 0.098 51 2939 2939 7.0 1.687 0.103 52 3133 3133 7.2 1.597 0.096 53 3149 3147 7.1 1.903 0.105 54 2973 2973 7.1 1.774 0.103 55 3037 3037 6.9 1.656 0.100 56 3131 3130 7.0 1.714 0.107 57 2996 2994 7.2 1.558 0.100 58 3094 3094 7.4 1.648 0.100 59 3109 3109 7.0 1.690 0.103 60 3033 3031 7.3 1.628 0.102 61 3048 3048 7.1 1.738 0.103 62 3118 3118 7.1 1.537 0.094 63 3049 3048 7.3 1.810 0.097 64 3080 3079 7.0 1.567 0.102 65 3034 3034 7.2 1.632 0.097 66 3024 3024 7.2 1.768 0.093 67 3129 3129 7.3 1.720 0.101 68 3081 3081 7.3 1.604 0.100 69 3002 3002 7.2 1.653 0.100 70 3106 3106 7.3 1.707 0.097 71 3048 3048 7.2 1.782 0.100 72 3071 3071 7.1 1.713 0.102 73 3054 3054 7.2 1.480 0.092 74 3087 3087 7.5 1.689 0.095 75 3067 3067 7.0 1.631 0.102 76 3097 3097 7.4 1.594 0.094 77 3014 3014 7.0 1.769 0.106 78 3073 3073 7.2 1.687 0.101 79 3101 3101 7.2 1.874 0.103 80 3023 3023 7.2 1.675 0.100 81 3069 3069 7.2 1.639 0.099 82 3058 3058 7.4 1.569 0.093 83 3040 3040 7.0 1.709 0.103 84 3088 3088 7.2 1.616 0.097 85 3030 3030 7.2 1.701 0.100 86 3053 3053 7.0 1.633 0.099 87 3062 3062 7.1 1.769 0.103 88 3107 3107 7.2 1.502 0.098 89 3006 3006 7.2 1.508 0.098 90 3070 3070 7.1 1.770 0.102 91 3045 3045 7.1 1.668 0.101 92 3015 3015 7.3 1.583 0.101 93 3065 3065 7.1 1.839 0.102 94 3058 3058 7.1 1.706 0.101 95 3029 3029 7.0 1.672 0.100 96 3038 3038 7.0 1.622 0.101 97 3100 3100 7.1 1.603 0.100 98 2993 2993 7.1 2.252 0.100 99 3045 3045 7.0 1.767 0.102 100 3100 3100 7.0 1.607 0.100 101 3058 3058 7.1 1.793 0.102 102 3064 3064 7.1 1.692 0.102 103 3001 3001 7.1 1.554 0.099 104 3054 3054 7.3 1.638 0.094 105 3075 3075 7.0 1.603 0.102 106 3052 3052 7.0 1.757 0.101 107 3017 3017 7.2 1.751 0.101 108 3067 3067 7.0 1.612 0.102 109 3051 3051 7.1 1.893 0.102 110 3050 3050 7.0 1.688 0.100 111 3011 3011 6.9 1.373 0.102 112 3030 3030 6.6 1.629 0.105 113 3101 3101 7.1 1.599 0.099 114 3046 3046 6.9 1.676 0.102 115 3033 3033 6.9 1.493 0.100 116 3059 3059 6.8 1.683 0.099 117 3042 3042 6.9 1.587 0.101 118 3063 3063 7.0 1.556 0.098 119 3012 3012 6.7 1.530 0.101 120 3114 3114 6.9 1.517 0.102 121 3013 3013 6.7 1.510 0.102 122 3047 3047 6.9 1.514 0.101 123 3090 3089 6.7 1.686 0.101 124 3037 3037 6.7 1.459 0.097 125 3006 3006 6.9 1.701 0.103 126 3049 3049 6.8 1.529 0.100 127 3033 3033 6.9 1.619 0.099 128 3014 3013 6.8 1.627 0.098 129 3101 3101 6.8 1.500 0.099 130 3023 3023 6.8 1.478 0.102 131 3034 3034 6.9 1.518 0.100 132 2967 2967 6.6 1.484 0.098 133 3091 3091 6.7 1.733 0.099 134 3005 3005 6.8 1.405 0.098 135 3024 3024 6.4 1.571 0.105 136 3034 3034 6.6 1.510 0.098 137 3090 3090 6.7 1.593 0.102 138 2960 2960 6.8 1.629 0.098 139 3055 3055 6.7 1.406 0.095 140 3057 3057 7.0 1.557 0.099 141 2983 2983 6.7 1.398 0.096 142 3029 3028 6.6 1.475 0.102 143 3051 3051 6.7 1.458 0.098 144 3022 3022 6.7 1.577 0.099 145 3009 3009 6.5 1.484 0.100 146 2988 2988 6.8 1.552 0.096 147 3023 3023 6.5 1.420 0.099 148 3029 3029 6.6 1.448 0.099 149 2989 2989 6.7 1.363 0.095 150 3063 3063 6.7 1.521 0.099 151 2980 2980 6.7 1.500 0.098 152 3020 3020 6.6 1.447 0.099 153 2982 2982 6.6 1.352 0.097 154 3029 3029 6.5 1.433 0.098 155 3017 3017 6.7 1.540 0.097 156 3025 3025 6.6 1.566 0.097 157 2994 2994 6.7 1.596 0.099 158 2976 2976 6.7 1.572 0.095 159 3003 3003 6.7 1.633 0.100 160 3043 3043 6.4 1.672 0.103 161 3033 3033 6.6 1.538 0.092 162 3003 3003 6.3 1.534 0.096 163 3066 3066 6.6 1.494 0.100 164 2968 2968 6.6 1.552 0.098 165 3087 3087 6.8 1.554 0.099 166 2962 2962 6.5 1.394 0.095 167 3037 3037 6.7 1.588 0.101 168 2992 2992 6.5 1.527 0.102 169 3032 3032 6.6 1.491 0.103 170 3062 3062 6.8 1.461 0.095 171 2973 2973 6.4 1.401 0.102 172 3025 3025 6.6 1.580 0.100 173 2996 2996 6.7 1.381 0.098 174 3048 3048 6.6 1.445 0.095 175 3041 3041 6.6 1.413 0.097 176 3038 3038 6.8 1.435 0.095 177 2949 2949 6.6 1.516 0.100 178 3082 3082 6.8 1.579 0.096 179 3042 3042 6.7 1.452 0.098 180 3071 3071 6.6 1.478 0.094 181 2973 2973 6.6 1.389 0.096 182 3005 3005 6.7 1.517 0.096 183 3058 3058 6.7 1.323 0.094 184 2989 2989 6.5 1.519 0.102 185 3025 3025 6.7 1.489 0.095 186 3023 3023 6.5 1.429 0.096 187 3032 3032 6.6 1.404 0.100 188 3022 3022 6.8 1.389 0.095 189 3027 3027 6.6 1.580 0.101 190 3115 3115 6.9 1.516 0.096 191 2962 2962 6.5 1.515 0.099 192 3013 3013 6.7 1.332 0.097 193 3048 3048 6.7 1.424 0.097 194 3034 3034 6.7 1.835 0.101 195 3008 3008 6.6 1.624 0.104 196 2969 2969 6.5 1.514 0.100 197 2995 2995 6.8 1.360 0.096 198 2968 2968 6.5 1.408 0.098 199 2620 2620 6.5 1.378 0.094 200 421 421 6.7 1.701 0.092 201 970 963 7.2 1.447 0.096 202 2914 2909 7.2 1.504 0.089 203 2972 2972 7.1 1.590 0.089 204 3037 3037 7.2 1.537 0.095 205 3008 3008 7.0 1.557 0.097 206 3042 3042 7.4 1.570 0.091 207 3026 3025 7.1 1.527 0.093 208 3016 3014 7.1 1.516 0.094 209 3085 3085 7.2 1.685 0.092 210 2984 2984 7.3 1.567 0.097 211 3102 3102 7.3 1.570 0.094 212 3047 3047 7.2 1.645 0.095 213 3011 3011 7.4 1.547 0.093 214 3108 3107 7.4 1.522 0.088 215 3061 3061 7.2 1.581 0.095 216 3036 3036 7.3 1.683 0.099 217 3061 3061 7.2 1.522 0.091 218 3077 3077 7.1 1.494 0.095 219 3029 3029 7.4 1.457 0.091 220 3057 3057 7.2 1.497 0.092 221 3020 3020 7.3 1.671 0.091 222 2942 2942 7.1 1.746 0.096 223 3069 3069 7.2 1.514 0.094 224 3068 3068 7.1 1.544 0.095 225 3113 3113 7.1 1.627 0.097 226 3056 3056 7.2 1.689 0.096 227 3061 3061 7.3 1.582 0.091 228 3033 3033 7.1 1.451 0.096 229 3040 3040 7.1 1.593 0.097 230 3001 3001 7.0 1.537 0.098 231 3094 3094 7.2 1.444 0.095 232 3097 3097 7.1 1.706 0.099 233 3064 3064 7.1 1.641 0.095 234 3020 3020 7.1 1.770 0.099 235 2974 2974 7.0 1.671 0.100 236 3094 3094 7.2 1.486 0.095 237 3106 3106 7.0 1.461 0.096 238 3065 3065 7.1 1.687 0.099 239 2973 2973 6.9 1.673 0.102 240 3028 3028 7.3 1.573 0.091 241 3138 3138 7.0 1.609 0.101 242 3040 3040 7.0 1.604 0.098 243 3078 3078 7.0 1.497 0.097 244 2944 2944 7.1 1.699 0.098 245 3130 3130 7.1 1.574 0.096 246 3109 3109 7.0 1.694 0.098 247 3036 3036 7.2 1.540 0.095 248 2953 2953 7.0 1.628 0.102 249 3182 3182 6.8 1.512 0.102 250 3076 3076 7.0 1.536 0.097 251 2983 2983 7.0 1.530 0.100 252 3098 3098 6.6 1.347 0.101 253 3028 3028 6.9 1.592 0.099 254 2990 2990 7.1 1.634 0.100 255 3094 3094 6.8 1.646 0.102 256 3144 3144 6.8 1.641 0.104 257 2999 2999 7.1 1.564 0.100 258 3073 3073 6.9 1.501 0.100 259 3066 3066 6.7 1.637 0.101 260 2993 2993 6.9 1.597 0.097 261 3073 3073 6.9 1.635 0.097 262 3091 3091 6.9 1.410 0.099 263 2971 2971 7.0 1.640 0.097 264 3112 3111 6.6 1.471 0.099 265 3044 3043 6.9 1.745 0.103 266 3068 3068 6.8 1.428 0.098 267 3108 3108 6.6 1.547 0.103 268 2984 2984 6.7 1.481 0.100 269 3041 3041 6.9 1.642 0.102 270 3108 3108 6.7 1.625 0.103 271 3036 3036 6.7 1.577 0.102 272 3050 3050 6.6 1.539 0.104 273 3075 3075 6.7 1.523 0.101 274 3007 3007 6.7 1.519 0.101 275 3052 3052 6.7 1.619 0.103 276 3053 3052 6.8 1.626 0.101 277 3005 3005 6.5 1.614 0.107 278 3054 3054 6.6 1.524 0.101 279 3033 3033 6.6 1.603 0.104 280 3086 3086 6.6 1.707 0.108 281 3094 3094 6.7 1.550 0.099 282 2977 2977 6.6 1.475 0.101 283 3089 3089 6.6 1.506 0.101 284 3053 3053 6.6 1.517 0.099 285 3061 3061 6.5 1.475 0.102 286 3047 3047 6.5 1.535 0.104 287 2988 2988 6.5 1.473 0.101 288 3062 3062 6.6 1.399 0.102 289 3056 3056 6.4 1.397 0.098 290 3010 3010 6.5 1.454 0.101 291 3055 3055 6.4 1.545 0.106 292 3066 3066 6.5 1.450 0.105 293 3009 3009 6.4 1.469 0.101 294 3086 3086 6.5 1.411 0.103 295 3034 3034 6.2 1.489 0.106 296 2972 2972 6.3 1.408 0.101 297 3117 3117 6.3 1.380 0.101 298 3048 3048 6.4 1.600 0.107 299 3001 3001 6.3 1.340 0.106 300 3074 3074 6.5 1.578 0.111 301 3052 3052 6.2 1.594 0.111 302 3083 3083 6.5 1.523 0.106 303 3018 3018 6.5 1.361 0.098 304 3072 3072 6.2 1.522 0.105 305 3036 3036 6.3 1.369 0.106 306 3039 3039 6.4 1.407 0.103 307 3044 3044 6.2 1.494 0.111 308 3015 3015 6.1 1.330 0.109 309 3069 3069 6.1 1.429 0.105 310 3059 3059 6.2 1.349 0.111 311 3025 3025 5.9 1.600 0.115 312 3025 3025 6.2 1.460 0.109 313 3062 3062 6.2 1.393 0.102 314 3046 3046 6.1 1.351 0.106 315 3036 3036 6.0 1.363 0.108 316 3051 3051 6.1 1.467 0.105 317 3047 3047 5.8 1.365 0.106 318 3043 3043 6.1 1.530 0.103 319 3055 3055 5.8 1.322 0.113 320 3039 3039 6.1 1.454 0.107 321 3047 3047 6.0 1.462 0.101 322 2990 2990 6.1 1.509 0.106 323 3039 3039 6.1 1.389 0.106 324 3045 3045 6.0 1.452 0.106 325 3103 3103 5.9 1.274 0.106 326 2975 2975 5.9 1.227 0.107 327 3070 3070 5.8 1.277 0.109 328 3016 3016 6.0 1.429 0.108 329 3034 3034 5.9 1.339 0.108 330 3034 3034 5.9 1.448 0.106 331 3034 3034 5.9 1.436 0.113 332 3034 3034 5.8 1.233 0.111 333 3052 3052 5.9 1.373 0.109 334 2963 2963 5.8 1.299 0.108 335 2990 2990 5.7 1.463 0.112 336 3045 3045 5.7 1.171 0.107 337 3033 3033 5.9 1.299 0.111 338 2976 2976 5.9 1.204 0.106 339 3021 3021 5.8 1.300 0.107 340 3036 3036 5.8 1.297 0.111 341 3013 3013 5.7 1.409 0.114 342 2981 2981 5.7 1.538 0.115 343 3070 3070 5.6 1.311 0.114 344 2961 2960 5.8 1.322 0.108 345 3044 3044 5.8 1.274 0.107 346 2990 2990 5.8 1.292 0.107 347 2966 2966 5.8 1.298 0.109 348 3034 3034 5.7 1.254 0.109 349 3036 3036 5.7 1.337 0.112 350 3024 3023 5.7 1.268 0.112 351 2976 2976 5.5 1.402 0.116 352 3043 3043 5.5 1.394 0.111 353 3015 3015 5.8 1.315 0.109 354 3023 3023 5.7 1.209 0.111 355 3031 3030 5.5 1.320 0.111 356 2968 2966 5.6 1.299 0.113 357 2991 2991 5.6 1.312 0.109 358 3022 3022 5.6 1.156 0.109 359 3032 3032 5.5 1.172 0.114 360 3025 3025 5.5 1.169 0.107 361 3017 3016 5.4 1.190 0.114 362 2990 2989 5.6 1.262 0.111 363 3009 3009 5.4 1.230 0.115 364 3010 3010 5.6 1.235 0.109 365 2997 2997 5.6 1.328 0.113 366 3032 3031 5.3 1.313 0.121 367 2996 2995 5.4 1.248 0.114 368 3038 3038 5.5 1.253 0.115 369 3003 3003 5.5 1.284 0.116 370 2980 2980 5.5 1.440 0.115 371 3038 3037 5.3 1.286 0.116 372 2989 2989 5.5 1.166 0.111 373 3062 3062 5.4 1.236 0.119 374 2972 2972 5.5 1.418 0.117 375 3016 3016 5.4 1.219 0.115 376 3043 3043 5.7 1.252 0.110 377 3008 3008 5.4 1.280 0.116 378 3025 3025 5.5 1.250 0.113 379 3005 3005 5.4 1.225 0.113 380 3016 3016 5.4 1.342 0.117 381 2972 2972 5.5 1.296 0.109 382 3022 3022 5.4 1.365 0.119 383 2967 2967 5.4 1.296 0.118 384 2999 2999 5.5 1.399 0.114 385 3018 3017 5.4 1.245 0.117 386 2980 2980 5.4 1.333 0.116 387 3019 3019 5.7 1.270 0.109 388 3007 3007 5.4 1.373 0.115 389 3045 3045 5.6 1.317 0.118 390 3063 3063 5.5 1.155 0.114 391 2932 2932 5.4 1.275 0.115 392 3021 3021 5.6 1.287 0.110 393 2992 2992 5.5 1.555 0.117 394 2999 2999 5.3 1.311 0.119 395 2979 2979 5.5 1.290 0.116 396 2976 2976 5.7 1.290 0.110 397 2952 2952 5.3 1.412 0.120 398 2942 2942 5.5 1.177 0.112 399 2660 2660 5.2 1.195 0.117 400 521 521 5.5 1.144 0.094 All films 1205313 1205247 6.6 1.516 0.102 Shell Summary of observation redundancies by shells: Lower Upper No. of reflections with given No. of observations limit limit 0 1 2 3 4 5-6 7-8 9-12 13-19 >19 total 50.00 3.45 206 32 69 31 125 134 209 431 1267 3922 6220 3.45 2.74 56 3 26 16 89 92 91 508 1110 4076 6011 2.74 2.39 32 0 5 3 60 119 47 562 1067 4082 5945 2.39 2.17 16 1 8 1 35 118 54 531 1122 4060 5930 2.17 2.02 7 0 2 1 16 125 63 482 1159 4048 5896 2.02 1.90 4 1 1 0 2 132 75 421 1159 4090 5881 1.90 1.80 0 0 5 0 1 114 78 376 1468 3822 5864 1.80 1.72 0 0 6 0 14 155 177 568 3642 1290 5852 1.72 1.66 0 3 18 6 76 331 416 2366 2629 3 5848 1.66 1.60 100 26 105 41 273 1128 1182 2269 715 2 5741 All hkl 421 66 245 99 691 2448 2392 8514 15338 29395 59188 Shell Summary of observation redundancies: Lower Upper % of reflections with given No. of observations limit limit 0 1 2 3 4 5-6 7-8 9-12 13-19 >19 total 50.00 3.45 3.2 0.5 1.1 0.5 1.9 2.1 3.3 6.7 19.7 61.0 96.8 3.45 2.74 0.9 0.0 0.4 0.3 1.5 1.5 1.5 8.4 18.3 67.2 99.1 2.74 2.39 0.5 0.0 0.1 0.1 1.0 2.0 0.8 9.4 17.9 68.3 99.5 2.39 2.17 0.3 0.0 0.1 0.0 0.6 2.0 0.9 8.9 18.9 68.3 99.7 2.17 2.02 0.1 0.0 0.0 0.0 0.3 2.1 1.1 8.2 19.6 68.6 99.9 2.02 1.90 0.1 0.0 0.0 0.0 0.0 2.2 1.3 7.2 19.7 69.5 99.9 1.90 1.80 0.0 0.0 0.1 0.0 0.0 1.9 1.3 6.4 25.0 65.2 100.0 1.80 1.72 0.0 0.0 0.1 0.0 0.2 2.6 3.0 9.7 62.2 22.0 100.0 1.72 1.66 0.0 0.1 0.3 0.1 1.3 5.7 7.1 40.5 45.0 0.1 100.0 1.66 1.60 1.7 0.4 1.8 0.7 4.7 19.3 20.2 38.8 12.2 0.0 98.3 All hkl 0.7 0.1 0.4 0.2 1.2 4.1 4.0 14.3 25.7 49.3 99.3 Shell I/Sigma in resolution shells: Lower Upper No. of reflections with I / Sigma less than limit limit 0 1 2 3 5 10 20 >20 total 50.00 3.45 1 8 13 18 42 120 352 5868 6220 3.45 2.74 14 43 79 113 192 422 887 5124 6011 2.74 2.39 39 107 191 274 435 792 1592 4353 5945 2.39 2.17 71 165 265 414 641 1149 2246 3684 5930 2.17 2.02 89 232 404 588 930 1731 3086 2810 5896 2.02 1.90 129 387 675 953 1465 2506 4084 1797 5881 1.90 1.80 252 692 1088 1478 2104 3409 4948 916 5864 1.80 1.72 399 1092 1731 2285 3184 4594 5618 234 5852 1.72 1.66 517 1577 2518 3227 4266 5399 5817 31 5848 1.66 1.60 679 2070 3172 3938 4890 5590 5737 4 5741 All hkl 2190 6373 10136 13288 18149 25712 34367 24821 59188 Shell I/Sigma in resolution shells: Lower Upper % of of reflections with I / Sigma less than limit limit 0 1 2 3 5 10 20 >20 total 50.00 3.45 0.0 0.1 0.2 0.3 0.7 1.9 5.5 91.3 96.8 3.45 2.74 0.2 0.7 1.3 1.9 3.2 7.0 14.6 84.5 99.1 2.74 2.39 0.7 1.8 3.2 4.6 7.3 13.3 26.6 72.8 99.5 2.39 2.17 1.2 2.8 4.5 7.0 10.8 19.3 37.8 62.0 99.7 2.17 2.02 1.5 3.9 6.8 10.0 15.8 29.3 52.3 47.6 99.9 2.02 1.90 2.2 6.6 11.5 16.2 24.9 42.6 69.4 30.5 99.9 1.90 1.80 4.3 11.8 18.6 25.2 35.9 58.1 84.4 15.6 100.0 1.80 1.72 6.8 18.7 29.6 39.0 54.4 78.5 96.0 4.0 100.0 1.72 1.66 8.8 27.0 43.1 55.2 72.9 92.3 99.5 0.5 100.0 1.66 1.60 11.6 35.4 54.3 67.4 83.7 95.7 98.2 0.1 98.3 All hkl 3.7 10.7 17.0 22.3 30.4 43.1 57.7 41.6 99.3 Summary of reflections intensities and R-factors by intensity bins R linear = SUM ( ABS(I - )) / SUM (I) R square = SUM ( (I - ) ** 2) / SUM (I ** 2) Chi**2 = SUM ( (I - ) ** 2) / (Error ** 2 * N / (N-1) ) ) In all sums single measurements are excluded Number Average Average Norm. Linear Square nonunf I error stat. Chi**2 R-fac R-fac 29783 -47.1 403.7 403.7 0.363 0.000 0.000 0.000 63512 56.3 399.8 399.8 0.383 0.000 0.000 0.000 61517 154.4 405.4 405.4 0.400 0.000 0.000 0.000 101609 304.7 413.5 413.4 0.446 0.703 0.916 0.000 140755 598.1 427.8 427.4 0.545 0.409 0.569 0.000 163544 1184.2 460.1 458.7 0.768 0.262 0.344 0.000 163323 2355.1 528.9 524.2 1.204 0.186 0.253 0.000 146370 4698.0 667.5 652.4 1.826 0.144 0.205 0.000 119500 9271.9 929.7 887.0 2.356 0.116 0.160 0.000 85816 18357.8 1414.7 1302.6 2.957 0.099 0.136 0.000 58922 36700.4 2310.2 2030.4 3.344 0.086 0.116 0.000 40832 72481.6 3904.3 3240.1 3.279 0.072 0.097 0.000 21860 141223.5 6741.8 5237.8 3.019 0.061 0.082 0.000 6802 268355.8 11576.6 8281.0 2.937 0.054 0.071 0.000 965 525318.4 20250.9 12412.4 4.395 0.059 0.077 0.000 127 1037054.0 36002.2 17493.6 4.112 0.057 0.069 0.000 10 1961063.2 69051.1 25698.7 9.906 0.093 0.099 0.000 Summary of reflections intensities and R-factors by shells R linear = SUM ( ABS(I - )) / SUM (I) R square = SUM ( (I - ) ** 2) / SUM (I ** 2) Chi**2 = SUM ( (I - ) ** 2) / (Error ** 2 * N / (N-1) ) ) In all sums single measurements are excluded Shell Lower Upper Average Average Norm. Linear Square limit Angstrom I error stat. Chi**2 R-fac R-fac 50.00 3.45 13076.7 174.0 139.0 4.088 0.070 0.073 3.45 2.74 6339.2 101.6 89.3 2.459 0.086 0.087 2.74 2.39 3205.6 72.5 67.8 1.597 0.106 0.106 2.39 2.17 2307.0 67.3 64.5 1.215 0.122 0.122 2.17 2.02 1612.0 63.7 62.1 0.898 0.147 0.149 2.02 1.90 1030.4 59.8 59.0 0.706 0.193 0.178 1.90 1.80 659.8 58.2 57.8 0.570 0.258 0.233 1.80 1.72 440.3 67.8 67.6 0.507 0.356 0.402 1.72 1.66 321.1 84.5 84.4 0.439 0.466 0.400 1.66 1.60 262.3 106.0 105.9 0.407 0.561 0.482 All reflections 3000.2 86.0 80.0 1.442 0.102 0.083 Intensities of systematic absences h k l Intensity Sigma I/Sigma 0 0 93 -61.9 175.3 -0.4 0 0 94 -138.3 156.7 -0.9 0 0 95 -243.4 171.1 -1.4 0 0 97 -147.9 129.4 -1.1 0 0 98 4.4 182.3 0.0 0 0 99 -128.1 156.9 -0.8 0 0 100 -107.4 173.6 -0.6 0 0 101 -74.7 158.2 -0.5 0 0 103 -33.5 183.2 -0.2 0 0 104 -10.0 182.6 -0.1 0 0 105 33.5 183.2 0.2 0 0 106 -64.8 195.9 -0.3 0 0 107 194.6 194.1 1.0 0 0 109 -34.6 195.0 -0.2 0 0 110 -106.4 209.4 -0.5 0 0 111 -74.7 183.0 -0.4 Real time Waiting 9.25 Scaling setup 94.23 Scaling solution 125.75 Post setup 69.02 Post solution 1.33 Sorting 28.98 Input 49.87 Total time 369.17 From - Mon Nov 25 11:21:25 2002 Received: from static44.anlgh.org (static44.anlgh.org [164.54.44.111]) by ndb-mirror-0.rutgers.edu (8.9.3/8.9.3) with ESMTP id RAA16530 for ; Thu, 21 Nov 2002 17:24:49 -0500 (EST) From: HTP2002@static44.anlgh.org Received: (from HTP2002@localhost) by static44.anlgh.org (8.11.6/8.11.6) id gALMO9X07553 for hyang@rcsb.rutgers.edu; Thu, 21 Nov 2002 16:24:09 -0600 Date: Thu, 21 Nov 2002 16:24:09 -0600 Message-Id: <200211212224.gALMO9X07553@static44.anlgh.org> To: hyang@rcsb.rutgers.edu { HEADER_BYTES=11776; APS1_DETECTOR_DESCRIPTION=APS1 in 435; APS1_DETECTOR_DIMENSIONS=1536 1536; APS1_DETECTOR_GAIN=1.0; APS1_DETECTOR_REFINE_FLAGS=0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; APS1_DETECTOR_SIZE=210.0 210.0; APS1_DETECTOR_VECTORS=1 0 0 0 1 0; APS1_GONIO_DESCRIPTION=A simple detector goniostat; APS1_GONIO_NAMES=RotZ RotX/Swing RotY TransX TransY TransZ/Dist; APS1_GONIO_NUM_VALUES=6; APS1_GONIO_UNITS=deg deg deg mm mm mm; APS1_GONIO_VALUES=0.8372 -0.4685 0.0692 0.2111 1.2920 169.5152; APS1_GONIO_VALUES_SIGMA=0.0116 0.0453 0.0625 0.0230 0.0178 0.1242; APS1_GONIO_VECTORS=0.0 0.0 1.0 1.0 0.0 0.0 0.0 1.0 0.0 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 -1.0 ; APS1_NONUNF_INFO=/net/htp/canned_data/ec1530/calib/nonunf /net/htp/canned_data/ec1530/dark.inf; APS1_NONUNF_TYPE=Dark_nonunf; APS1_SPATIAL_BEAM_POSITION= 771.20 765.90; APS1_SPATIAL_DISTORTION_INFO=/net/htp/canned_data/ec1530/calib/distor; APS1_SPATIAL_DISTORTION_TYPE=Interp_spatial; APS1_SPATIAL_DISTORTION_VECTORS=-1 0 0 -1; BEAMLINE_NAME=ID19_; BYTE_ORDER=big_endian; COMMENT=Original template editted by mlw 12/10/96 ; COMPRESSION=None; CRYSTAL_DESCRIPTION=unknown; CRYSTAL_GONIO_DESCRIPTION=kappa crystal goniostat at APS; CRYSTAL_GONIO_NAMES=Omega Kappa Phi; CRYSTAL_GONIO_NUM_VALUES=3; CRYSTAL_GONIO_UNITS=deg deg deg; CRYSTAL_GONIO_VALUES=-90.000 -0.008 0.007; CRYSTAL_GONIO_VECTORS=-1.000 0.000 0.000 -0.500 0.000 -0.866 -1.000 0.000 0.000; CRYSTAL_MOSAICITY= 1.0433 0.0000 0.0000; CRYSTAL_MOSAICITY_SIGMA=0.1000 0.0000 0.0000; CRYSTAL_ORIENT_ANGLES= 127.6733 26.0237 19.1155; CRYSTAL_ORIENT_ANGLES_SIGMA=0.0107 0.0186 0.0098; CRYSTAL_REFINE_FLAGS=0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; CRYSTAL_SPACEGROUP=5; CRYSTAL_UNIT_CELL= 104.8589 74.2789 39.3063 90.0000 98.7577 90.0000; CRYSTAL_UNIT_CELL_SIGMA=0.04660 0.05732 0.01981 0.00000 0.03044 0.00000; DETECTOR_NAMES=APS1_; DETECTOR_NUMBER=1; DIM=2; DTDISPLAY_ORIENTATION=+X+Y; DTFIND_AVG_SPOTS_PER_IMAGE=802; DTFIND_OPTIONS= 1r_dtprocess.head -seq 1 1 -sigma 3 -min 50 -filter 6 -window 0 0 -pad 3 -display -out 1r_dtfind.head; DTFIND_PHOTON_IOVERSIG= 1.0000 1.4918 2.2255 3.3201 4.9530 7.3891 11.0232 16.4446 24.5325 36.5982; DTFIND_PHOTON_VALUES= 11914707.5299 11914707.5299 11914707.5299 11914707.5299 11912462.5136 11908619.1551 11892575.1755 11756512.9780 11371924.5586 0.0000; DTFIND_SEQ_OPTIONS= -seq 1 1 -seq 1 1; DTFIND_SPOTSIZE= 9.67 9.84 0.00; DTINDEX_OPTIONS= 1r_dtfind.head 1r_dtfind.ref -maxresid 3.0 -sigma 5 -prompt; DTP_DTFIND_OPTIONS=1 1 3 50 6 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0.0 0.0; DTP_DTINDEX_OPTIONS=0 0.0 0.0 3.0 0.0 0.0 0.0 0.0 0.0 0.0 0 1 0 0 0 1 0 0.0 0.0 5; DTP_DTINTEGRATE_OPTIONS=1 170 0 0 0 0 1,1,0 50 7 1 4 0 0 6 1 0 0 0 0 58 0; DTP_DTMERGE_OPTIONS=1r_dtmerge.ref 92 ; DTP_DTPREDICT_OPTIONS=1 1 0.0 0.0 0.0 0.0 0.4000 0 0 1; DTP_DTREFINE_MACRO1=-reso 100 3 -sigma 5 +DetAll -DetRot1 -go -DetAll +CrysRot -go +CrysAll -go -reso 100 .1 +DetAll -name Detector, then all crystal; DTP_DTREFINE_MACRO2=-reso 100 3 -sigma 5 +CrysRot -go +CrysAll -go -CrysAll +DetAll -DetRot1 -go +DetAll +CrysAll -reso 100 .2 -name Crystal, then all detector; DTP_DTREFINE_MACRO3=-reso 100 3 -sigma 5 +CrysRot -go +CrysAll -go -CrysAll +DetAll -DetRot1 -go +DetAll +CrysAll -reso 100 .3 -name Low reso, then all reso; DTP_DTREFINE_MACRO4=-reso 100 .1 -sigma 2 -verbose 0 +CrysAll +DetAll -DetRot1 -go -CrysRot3 +DetRot1 -go -verbose 1 +CrysRot3 -DetRot1 -name Integrate; DTP_DTREFINE_MACRO5=-rej 1 1 2 -sigma 1 +All -verbose 0 -go -verbose 1 -name Fit All; DTP_DTREFINE_MACRO6=-rej 1 1 2 -sigma 1 +CrysAll +DetAll -verbose 0 -go -verbose 1 -name Fit Most; DTP_DTREFINE_MACRO7=-reso 100 3 -sigma 5 +CrysRot -go +CrysAll -go -CrysAll +DetAll -DetRot1 -go +DetAll +CrysAll -reso 100 .7 -name Custom 7; DTP_DTREFINE_MACRO8=-sigma 10 +CrysAll -CrysMosaicity +DetAll -DetRot1 +SourceRot -go -SourceRot +DetRot1 -go -DetRot1 -name Rotation axis, cryst, det; DTP_DTREFINE_OPTIONS=5.0 0.0 0.0 0.5 0.5 0.5 100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 1 0 6 0 1; DTP_DTSCALE_OPTIONS=5.0 .0075 -2 -0.05 NoNe 1r_dtunavg.ref 1r_dtscale.ref 2 0 0 1 0 0 0.0 0.0 0; DTP_DTSTRATEGY_OPTIONS=0 360 360 3 0 0 99 0.3 NoNe NoNe 0 0 0 0 0; DTP_SETUP_OPTIONS=0 0.0 0.0; DTREFINE_FILES= 1r_dtrefine.head -seq; DTREFINE_LAMBDA= -1.0000; DTREFINE_OPTIONS= +CrysAll +DetAll -sigma 5.0 -rej 0.5 0.5 0.5 -cycles 100 -display -go; DTREFINE_PROFILE_COUNT=0; DTREFINE_REFLN_NUMBERS=1031 1011 20 0 2 18 0; DTREFINE_REFLN_NUMBERS_PHOTONS= 4946267.0000 4921122.0000 25144.7969 0.0000 0.0000 0.0000 0.0000; DTREFINE_RMS_DEG=0.100; DTREFINE_RMS_MM=0.068; DTREFINE_SPOTDISTANCE= 19.0512 21.5112; DTREFINE_TWINS_REFINED=1; DTREK_DATE_TIME=21-Nov-2002 16:02:53; DTREK_MODULE=dtscaleaverage; DTREK_VERSION=d*TREK version 7.4LDz -- Nov 19 2002; Data_type=unsigned short int; FILENAME=/net/buffer/d2/user0id/ykim/ec1530/inf1.001; GONIO_VALUES_SIGMA=0.0064 0.0265 0.0339 0.0129 0.0103 0.0628; ID19_ACIS_SHUTTER_OPEN=Open; ID19_BS_X_MM=-0.331; ID19_BS_Y_MM=-1.131; ID19_CCD_CTLR_BINNING_MODE=Bin; ID19_CCD_CTLR_INTERNAL_TIMER=0.00100; ID19_CCD_CTLR_PHOSPHOR_TIME=50; ID19_CCD_CTLR_READOUT_MODE=Normal; ID19_CCD_CTLR_TEST_PATTERN=Pixel_Count; ID19_CCD_CTLR_TIMING_SOURCE=External; ID19_CCD_CTLR_TRIGGER_SOURCE=Lemo; ID19_CCD_MUX_CHANNEL=B; ID19_CCD_MUX_DATA_SOURCE=CCD_Head; ID19_CCD_MUX_PING_PONG=On; ID19_CS_HY_MM=-8.515; ID19_CS_XC_MM=0.091; ID19_CS_XS_MM=10.598; ID19_CS_YC_MM=-16.394; ID19_CS_YS_MM=10.365; ID19_DE_D_MM=169.9971; ID19_DE_O_MM=0.0010; ID19_DE_T_DEG=0.0000; ID19_DN_A_MRAD=-7.315; ID19_DN_Y_MM=9.427; ID19_ELT01C_NONE_CURRENT=0.000000; ID19_ELT01S_NONE_CURRENT=0.000000; ID19_ELT02C_APSI_CURRENT=74908.605190; ID19_ELT02S_APSI_CURRENT=0.000000; ID19_ELT03C_BICRON_CURRENT=0.000000; ID19_ELT03S_BICRON_CURRENT=0.000000; ID19_ELT11C_ION_CURRENT=0.000016; ID19_ELT11S_ION_CURRENT=0.000000; ID19_ELT11_GAIN=800000000; ID19_ELT11_OFFSET=0.000000; ID19_ELT12C_PIN_CURRENT=0.007268; ID19_ELT12S_PIN_CURRENT=0.000000; ID19_ELT12_GAIN=40000000; ID19_ELT12_OFFSET=0.000000; ID19_ELT13C_SPARE_CURRENT=0.000104; ID19_ELT13S_SPARE_CURRENT=0.000000; ID19_ELT13_GAIN=100000000; ID19_ELT13_OFFSET=0.000000; ID19_ELT14C_SPARE_CURRENT=0.000268; ID19_ELT14S_SPARE_CURRENT=0.000000; ID19_ELT14_GAIN=40000000; ID19_ELT14_OFFSET=0.000000; ID19_ELT21C_FOEA_CURRENT=0.202344; ID19_ELT21S_FOEA_CURRENT=0.000000; ID19_ELT21_GAIN=1000000; ID19_ELT21_OFFSET=0.000000; ID19_ELT22C_FOEB_CURRENT=0.191923; ID19_ELT22S_FOEB_CURRENT=0.000000; ID19_ELT22_GAIN=1000000; ID19_ELT22_OFFSET=0.000000; ID19_ELT23C_FOEE_CURRENT=0.009197; ID19_ELT23S_FOEE_CURRENT=0.000000; ID19_ELT23_GAIN=2000000; ID19_ELT23_OFFSET=0.000000; ID19_ELT24C_FOEF_CURRENT=0.008358; ID19_ELT24S_FOEF_CURRENT=0.000000; ID19_ELT24_GAIN=2000000; ID19_ELT24_OFFSET=0.000000; ID19_ELT31C_SPARE_CURRENT=0.165902; ID19_ELT31S_SPARE_CURRENT=0.000000; ID19_ELT31_GAIN=2000000; ID19_ELT31_OFFSET=0.000000; ID19_ELT32C_SPARE_CURRENT=0.163511; ID19_ELT32S_SPARE_CURRENT=0.000000; ID19_ELT32_GAIN=2000000; ID19_ELT32_OFFSET=0.000000; ID19_ELT33C_SPARE_CURRENT=0.010786; ID19_ELT33S_SPARE_CURRENT=0.000000; ID19_ELT33_GAIN=2000000; ID19_ELT33_OFFSET=0.000000; ID19_ELT34C_SPARE_CURRENT=0.005330; ID19_ELT34S_SPARE_CURRENT=0.000000; ID19_ELT34_GAIN=2000000; ID19_ELT34_OFFSET=0.000000; ID19_EXPOSE_TIMESTAMP=05/19/01 01:24:16; ID19_FI_Y1_MM=0.000; ID19_FI_Y2_MM=-27.000; ID19_GAP_AVG_MM=28.932; ID19_GAP_ENERGY_KEV=12.709; ID19_GAP_HARMONIC_VALUE=1; ID19_GAP_TAPER_ENERGY_KEV=0.000; ID19_GAP_TAPER_MM=0.001; ID19_GO_K_DEG=-0.0083; ID19_GO_O_DEG=-88.7054; ID19_GO_P_DEG=0.0070; ID19_GO_X_MM=-3.210; ID19_GO_Y_MM=-24.338; ID19_GO_Z_MM=-4.5450; ID19_GSC_CONTROL_SOURCE=PMAC; ID19_GSC_DELAY_VALUE=20.00; ID19_GSC_EXPOSE_GATE=Enabled; ID19_GSC_EXPOSURE_DELAY=On; ID19_GSC_GATE1_GATE=Enabled; ID19_GSC_GATE2_GATE=Disabled; ID19_GSC_GATE_STRETCH=On; ID19_GSC_KEVEX_GATE=Disabled; ID19_GSC_SHUTTER_GATE=Enabled; ID19_GSC_STRETCH_VALUE=40.00; ID19_GS_XC_MM=0.003; ID19_GS_XS_MM=0.149; ID19_GS_X_MM=-0.755; ID19_GS_YC_MM=-0.029; ID19_GS_YS_MM=0.150; ID19_GS_Y_MM=-22.875; ID19_GS_Z_MM=0.000; ID19_MD_1_MM=0.700; ID19_MD_2_MM=1.410; ID19_MD_3_MM=0.000; ID19_MD_4_MM=0.000; ID19_MD_5_MM=0.000; ID19_MD_6_MM=0.000; ID19_MD_7_MM=0.000; ID19_MD_8_MM=-0.000; ID19_MI_A_MRAD=-2.401; ID19_MI_E_MM=-0.000; ID19_MI_F_MM=2.200; ID19_MI_L_MM=-0.000; ID19_MI_TA_MRAD=0.136; ID19_MI_TY_MM=-0.105; ID19_MI_Y_MM=0.401; ID19_MO1_E_KEV=-2.0723; ID19_MO1_F_MM=-1.419; ID19_MO1_N_MM=0.000; ID19_MO1_S_MM=0.000; ID19_MO1_W_MM=-7.585; ID19_MO2_E_KEV=12.6570; ID19_MO2_F_MM=1.400; ID19_MO2_N_MM=1020.267; ID19_MO2_S_MM=0.056; ID19_MO2_W_MM=6724.830; ID19_PA_X_MM=0.001; ID19_PA_Y_MM=-0.012; ID19_ROTATION_END=-89.000; ID19_ROTATION_SERIAL_NUM=1; ID19_ROTATION_START=-90.000; ID19_SCAN_AXIS=Omega; ID19_SCAN_EXPOSURE_MODE=ScanOpen; ID19_SCAN_EXPOSURE_TIME=1.000; ID19_SCAN_IMAGES=170; ID19_SCAN_INCREMENT=1.000; ID19_SCAN_RELZERO_OMEGA=-90.000; ID19_SCAN_START=0.000; ID19_SCLC1_COUNTS_01=104007; ID19_SCLC1_COUNTS_02=1; ID19_SCLC1_COUNTS_03=390071; ID19_SCLC1_COUNTS_04=0; ID19_SCLC1_COUNTS_05=13172; ID19_SCLC1_COUNTS_06=302356; ID19_SCLC1_COUNTS_07=10859; ID19_SCLC1_COUNTS_08=11130; ID19_SCLC1_COUNTS_09=210452; ID19_SCLC1_COUNTS_10=199613; ID19_SCLC1_COUNTS_11=19132; ID19_SCLC1_COUNTS_12=17386; ID19_SCLC1_COUNTS_13=345099; ID19_SCLC1_COUNTS_14=340125; ID19_SCLC1_COUNTS_15=22436; ID19_SCLC1_COUNTS_16=11087; ID19_SCLC1_FREQUENCY_HZ=100000; ID19_SCLC1_TIME_SEC=1.040; ID19_SCLS1_COUNTS_01=0; ID19_SCLS1_COUNTS_02=0; ID19_SCLS1_COUNTS_03=0; ID19_SCLS1_COUNTS_04=0; ID19_SCLS1_COUNTS_05=0; ID19_SCLS1_COUNTS_06=0; ID19_SCLS1_COUNTS_07=0; ID19_SCLS1_COUNTS_08=0; ID19_SCLS1_COUNTS_09=0; ID19_SCLS1_COUNTS_10=0; ID19_SCLS1_COUNTS_11=0; ID19_SCLS1_COUNTS_12=0; ID19_SCLS1_COUNTS_13=0; ID19_SCLS1_COUNTS_14=0; ID19_SCLS1_COUNTS_15=0; ID19_SCLS1_COUNTS_16=0; ID19_SCLS1_FREQUENCY_HZ=0; ID19_SCLS1_TIME_SEC=0.000; ID19_SFC11_ATTENUATOR=Out; ID19_SFC12_ATTENUATOR=Out; ID19_SFC13_ATTENUATOR=In; ID19_SFC14_ATTENUATOR=Out; ID19_SFC21_ATTENUATOR=Out; ID19_SFC22_ATTENUATOR=Out; ID19_SFC23_ATTENUATOR=Out; ID19_SFC24_ATTENUATOR=Out; ID19_SFC31_ATTENUATOR=Out; ID19_SFC32_ATTENUATOR=Out; ID19_SR_CURRENT_MA=72.9; ID19_SR_FILL_NUMBER=23; ID19_SR_ORBIT_CORRECTION=None; LOGNAME=user0id; ROTATION=0.000 170.000 1.000 1.000 0.000 0.000 0.000 100.000 0.000 0.000; ROTATION_AXIS_NAME=Omega; ROTATION_LIMITS=0.000 360.000 1000.000; ROTATION_VECTOR= -1.000 0.000 0.000; SATURATED_VALUE=65000; SCAN_CRYS_RELZERO=3.000 -90.000 -0.008 0.007; SCAN_DET_RELZERO=2.000 169.997 0.000; SCAN_DEZINGER_IMAGE=f; SCAN_MODE=Scan_Open; SCAN_ROTATION=0.000 170.000 1.000 1.000 0.000 0.000 0.000 100.000 0.000 0.000; SCAN_ROTATION_AXIS_NAME=Omega; SCAN_ROTATION_VECTOR=-1.000 0.000 0.000; SCAN_SEQ_INFO=1 1 169; SCAN_TEMPLATE=/net/htp/canned_data/ec1530/inf1.???; SCAN_TITLE=start end inc time nOsc nDark nDup nDlim nDC nDCup; SCAN_WAVELENGTH=0.97957; SIZE1=0; SIZE2=0; SOURCE_CROSSFIRE=0.0000 0.0000 0.0000 0.0000; SOURCE_INTENSITY=0.007268; SOURCE_ORIENT_ANGLES= 0 0; SOURCE_POLARZ=0.9900 0.0000 1.0000 0.0000; SOURCE_REFINE_FLAGS=0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; SOURCE_SIZE=0.0000 0.0000 0.0000 0.0000; SOURCE_SPECTRAL_DISPERSION=0.00020 0.00020; SOURCE_VALUES=0.0000 0.0000; SOURCE_VALUES_SIGMA=0.0000 0.0000; SOURCE_VECTORS=0.000 0.000 1.000 1.000 0.000 0.000 0.000 1.000 0.000; SOURCE_WAVELENGTH= 1.00000 0.97960; SOURCE_WAVELENGTH_SIGMA=0.000016; TYPE=mad; }