{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "46aed9cb22dfc1ac05f74aee00a82f47",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 41.45,
"b": 41.45,
"c": 57.47,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.500,1.350],
"number_observations": 59815,
"number_observations_unique": 6782,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 21.460
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 8.820
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.390,1.350],
"number_observations": 4470,
"number_observations_unique": 505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.788
},
{
"type": "R(meas)",
"value": 0.839
},
{
"type": "I/SigI",
"value": 3.530
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.851
},
{
"type": "CC(1/2)",
"value": 0.897
}
]
},
{
"resolution_limits": [1.420,1.390],
"number_observations": 4264,
"number_observations_unique": 471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.710
},
{
"type": "R(meas)",
"value": 0.754
},
{
"type": "I/SigI",
"value": 4.530
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 9.053
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [1.460,1.420],
"number_observations": 3935,
"number_observations_unique": 453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.658
},
{
"type": "R(meas)",
"value": 0.701
},
{
"type": "I/SigI",
"value": 5.810
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 8.687
},
{
"type": "CC(1/2)",
"value": 0.900
}
]
},
{
"resolution_limits": [1.510,1.460],
"number_observations": 4068,
"number_observations_unique": 459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.488
},
{
"type": "R(meas)",
"value": 0.518
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 8.863
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [1.560,1.510],
"number_observations": 4074,
"number_observations_unique": 435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.299
},
{
"type": "R(meas)",
"value": 0.316
},
{
"type": "I/SigI",
"value": 11.130
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.366
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [1.610,1.560],
"number_observations": 4095,
"number_observations_unique": 434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "I/SigI",
"value": 14.220
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.435
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.670,1.610],
"number_observations": 3888,
"number_observations_unique": 410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "I/SigI",
"value": 16.180
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.483
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [1.740,1.670],
"number_observations": 3659,
"number_observations_unique": 400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 17.320
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.148
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.820,1.740],
"number_observations": 3545,
"number_observations_unique": 380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 20.810
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 9.329
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.910,1.820],
"number_observations": 3033,
"number_observations_unique": 359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 22.760
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 8.448
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.010,1.910],
"number_observations": 2571,
"number_observations_unique": 330,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 27.510
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 7.791
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.130,2.010],
"number_observations": 2974,
"number_observations_unique": 342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 33.030
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.696
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.280,2.130],
"number_observations": 2469,
"number_observations_unique": 302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 36.420
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 8.175
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.460,2.280],
"number_observations": 2741,
"number_observations_unique": 298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 40.370
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 9.198
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.700,2.460],
"number_observations": 2540,
"number_observations_unique": 276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 42.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.203
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.020,2.700],
"number_observations": 2234,
"number_observations_unique": 258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 42.880
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.659
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.490,3.020],
"number_observations": 1930,
"number_observations_unique": 228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 43.940
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 8.465
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.270,3.490],
"number_observations": 1488,
"number_observations_unique": 190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 43.540
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 7.832
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [6.040,4.270],
"number_observations": 1279,
"number_observations_unique": 160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 42.990
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 7.994
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [19.500,6.040],
"number_observations": 558,
"number_observations_unique": 92,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 35.670
},
{
"type": "Completeness",
"value": 86.800
},
{
"type": "Redundancy",
"value": 6.065
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}
|