Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "18e03afd50e2e0cb40ac1b9206e912ee",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 172.40,
"b": 55.04,
"c": 84.37,
"alpha": 90.00,
"beta": 108.69,
"gamma": 90.00
},
"wavelengths": [0.68880],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.880,1.350],
"number_observations": 732213,
"number_observations_unique": 160849,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 11.850
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 4.552
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.390,1.350],
"number_observations": 55773,
"number_observations_unique": 11909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.795
},
{
"type": "R(meas)",
"value": 0.896
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.683
},
{
"type": "CC(1/2)",
"value": 0.851
}
]
},
{
"resolution_limits": [1.420,1.390],
"number_observations": 53877,
"number_observations_unique": 11478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.642
},
{
"type": "R(meas)",
"value": 0.724
},
{
"type": "I/SigI",
"value": 2.420
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 4.694
},
{
"type": "CC(1/2)",
"value": 0.896
}
]
},
{
"resolution_limits": [1.460,1.420],
"number_observations": 52843,
"number_observations_unique": 11278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.503
},
{
"type": "R(meas)",
"value": 0.568
},
{
"type": "I/SigI",
"value": 3.030
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.685
},
{
"type": "CC(1/2)",
"value": 0.928
}
]
},
{
"resolution_limits": [1.510,1.460],
"number_observations": 51010,
"number_observations_unique": 10962,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.372
},
{
"type": "R(meas)",
"value": 0.420
},
{
"type": "I/SigI",
"value": 3.940
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.653
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [1.560,1.510],
"number_observations": 49416,
"number_observations_unique": 10533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.302
},
{
"type": "R(meas)",
"value": 0.341
},
{
"type": "I/SigI",
"value": 4.840
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 4.692
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [1.610,1.560],
"number_observations": 47023,
"number_observations_unique": 10114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "R(meas)",
"value": 0.257
},
{
"type": "I/SigI",
"value": 6.090
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 4.649
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [1.670,1.610],
"number_observations": 45310,
"number_observations_unique": 9847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(meas)",
"value": 0.215
},
{
"type": "I/SigI",
"value": 7.250
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 4.601
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [1.740,1.670],
"number_observations": 42563,
"number_observations_unique": 9569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "I/SigI",
"value": 8.840
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.448
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [1.820,1.740],
"number_observations": 43182,
"number_observations_unique": 9186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 11.170
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.701
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.910,1.820],
"number_observations": 40957,
"number_observations_unique": 8779,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 13.610
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.665
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.010,1.910],
"number_observations": 38213,
"number_observations_unique": 8375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 16.120
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.563
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.130,2.010],
"number_observations": 34829,
"number_observations_unique": 7877,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 18.730
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.422
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.280,2.130],
"number_observations": 31561,
"number_observations_unique": 7425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 20.270
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.251
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.460,2.280],
"number_observations": 28987,
"number_observations_unique": 6905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 21.830
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.198
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.700,2.460],
"number_observations": 26886,
"number_observations_unique": 6373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 23.690
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.219
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.020,2.700],
"number_observations": 24484,
"number_observations_unique": 5778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 25.230
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 4.237
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.490,3.020],
"number_observations": 22680,
"number_observations_unique": 5097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 27.140
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.450
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.270,3.490],
"number_observations": 19642,
"number_observations_unique": 4336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 28.420
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.530
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [6.040,4.270],
"number_observations": 15680,
"number_observations_unique": 3362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 29.040
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 4.664
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [45.880,6.040],
"number_observations": 7297,
"number_observations_unique": 1666,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 28.060
},
{
"type": "Completeness",
"value": 85.700
},
{
"type": "Redundancy",
"value": 4.380
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}