Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9466ef2740255a384d4d1fd4d17f8c27",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 208.47,
"b": 447.66,
"c": 619.05,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [124.260,2.800],
"number_observations": 7190260,
"number_observations_unique": 1383303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "R(meas)",
"value": 0.222
},
{
"type": "I/SigI",
"value": 8.340
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.198
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.870,2.800],
"number_observations": 532574,
"number_observations_unique": 102443,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.969
},
{
"type": "R(meas)",
"value": 2.187
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.199
},
{
"type": "CC(1/2)",
"value": 0.162
}
]
},
{
"resolution_limits": [2.950,2.870],
"number_observations": 512970,
"number_observations_unique": 99747,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.490
},
{
"type": "R(meas)",
"value": 1.657
},
{
"type": "I/SigI",
"value": 1.180
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.143
},
{
"type": "CC(1/2)",
"value": 0.237
}
]
},
{
"resolution_limits": [3.040,2.950],
"number_observations": 485410,
"number_observations_unique": 96950,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.079
},
{
"type": "R(meas)",
"value": 1.202
},
{
"type": "I/SigI",
"value": 1.590
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.007
},
{
"type": "CC(1/2)",
"value": 0.363
}
]
},
{
"resolution_limits": [3.130,3.040],
"number_observations": 435441,
"number_observations_unique": 89834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.754
},
{
"type": "R(meas)",
"value": 0.841
},
{
"type": "I/SigI",
"value": 2.210
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 4.847
},
{
"type": "CC(1/2)",
"value": 0.522
}
]
},
{
"resolution_limits": [3.230,3.130],
"number_observations": 492019,
"number_observations_unique": 91617,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.610
},
{
"type": "R(meas)",
"value": 0.675
},
{
"type": "I/SigI",
"value": 2.950
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.370
},
{
"type": "CC(1/2)",
"value": 0.657
}
]
},
{
"resolution_limits": [3.350,3.230],
"number_observations": 484244,
"number_observations_unique": 88732,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.489
},
{
"type": "R(meas)",
"value": 0.540
},
{
"type": "I/SigI",
"value": 3.780
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.457
},
{
"type": "CC(1/2)",
"value": 0.769
}
]
},
{
"resolution_limits": [3.470,3.350],
"number_observations": 460686,
"number_observations_unique": 85564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.436
},
{
"type": "R(meas)",
"value": 0.482
},
{
"type": "I/SigI",
"value": 4.360
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.384
},
{
"type": "CC(1/2)",
"value": 0.805
}
]
},
{
"resolution_limits": [3.610,3.470],
"number_observations": 443815,
"number_observations_unique": 82472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.346
},
{
"type": "R(meas)",
"value": 0.383
},
{
"type": "I/SigI",
"value": 5.290
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.381
},
{
"type": "CC(1/2)",
"value": 0.865
}
]
},
{
"resolution_limits": [3.780,3.610],
"number_observations": 410650,
"number_observations_unique": 79191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "R(meas)",
"value": 0.339
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.186
},
{
"type": "CC(1/2)",
"value": 0.892
}
]
},
{
"resolution_limits": [3.960,3.780],
"number_observations": 385968,
"number_observations_unique": 75560,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "R(meas)",
"value": 0.272
},
{
"type": "I/SigI",
"value": 7.680
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.108
},
{
"type": "CC(1/2)",
"value": 0.928
}
]
},
{
"resolution_limits": [4.170,3.960],
"number_observations": 371007,
"number_observations_unique": 72108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "R(meas)",
"value": 0.208
},
{
"type": "I/SigI",
"value": 9.460
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.145
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [4.430,4.170],
"number_observations": 335998,
"number_observations_unique": 67972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.943
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [4.730,4.430],
"number_observations": 298769,
"number_observations_unique": 60946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 13.160
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 4.902
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [5.110,4.730],
"number_observations": 325937,
"number_observations_unique": 59866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 15.480
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.444
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [5.600,5.110],
"number_observations": 298337,
"number_observations_unique": 55276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 17.730
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.397
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [6.260,5.600],
"number_observations": 268165,
"number_observations_unique": 50123,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 18.610
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.350
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [7.230,6.260],
"number_observations": 232129,
"number_observations_unique": 44250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 20.190
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.246
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [8.850,7.230],
"number_observations": 178519,
"number_observations_unique": 36533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 24.380
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 4.887
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [12.520,8.850],
"number_observations": 152107,
"number_observations_unique": 28256,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 33.640
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 5.383
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [124.260,12.520],
"number_observations": 85515,
"number_observations_unique": 15863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 41.630
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 5.391
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}