Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b6e78c00a47fc556201a0a7b0baf589b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 151.210,
"b": 56.379,
"c": 48.684,
"alpha": 90.00,
"beta": 98.39,
"gamma": 90.00
},
"wavelengths": [1.03323],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.400,2.010],
"number_observations": 183425,
"number_observations_unique": 27346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 20.710
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.708
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.060,2.010],
"number_observations_unique": 1996,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.560
},
{
"type": "R(meas)",
"value": 1.687
},
{
"type": "I/SigI",
"value": 1.070
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.874
},
{
"type": "CC(1/2)",
"value": 0.472
}
]
},
{
"resolution_limits": [2.110,2.060],
"number_observations_unique": 1953,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.136
},
{
"type": "R(meas)",
"value": 1.234
},
{
"type": "I/SigI",
"value": 1.490
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.589
},
{
"type": "CC(1/2)",
"value": 0.634
}
]
},
{
"resolution_limits": [2.170,2.110],
"number_observations_unique": 1925,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.716
},
{
"type": "R(meas)",
"value": 0.774
},
{
"type": "I/SigI",
"value": 2.440
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.902
},
{
"type": "CC(1/2)",
"value": 0.803
}
]
},
{
"resolution_limits": [2.240,2.170],
"number_observations_unique": 1846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.530
},
{
"type": "R(meas)",
"value": 0.575
},
{
"type": "I/SigI",
"value": 3.290
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.686
},
{
"type": "CC(1/2)",
"value": 0.881
}
]
},
{
"resolution_limits": [2.320,2.240],
"number_observations_unique": 1800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.364
},
{
"type": "R(meas)",
"value": 0.393
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.967
},
{
"type": "CC(1/2)",
"value": 0.940
}
]
},
{
"resolution_limits": [2.400,2.320],
"number_observations_unique": 1724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "R(meas)",
"value": 0.260
},
{
"type": "I/SigI",
"value": 7.260
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.928
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [2.490,2.400],
"number_observations_unique": 1684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "I/SigI",
"value": 10.220
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.866
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.590,2.490],
"number_observations_unique": 1624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.640
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.700,2.590],
"number_observations_unique": 1569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 17.660
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.846
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.840,2.700],
"number_observations_unique": 1468,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 23.070
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.736
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.990,2.840],
"number_observations_unique": 1411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 30.730
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.902
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.170,2.990],
"number_observations_unique": 1326,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 36.410
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.747
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.390,3.170],
"number_observations_unique": 1274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 41.280
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.490
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.660,3.390],
"number_observations_unique": 1163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 45.550
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.411
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.010,3.660],
"number_observations_unique": 1099,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 49.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.701
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.480,4.010],
"number_observations_unique": 971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 50.850
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.492
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.180,4.480],
"number_observations_unique": 865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 50.780
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.342
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.340,5.180],
"number_observations_unique": 744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 50.450
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.241
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.970,6.340],
"number_observations_unique": 572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 51.030
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.203
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [37.400,8.970],
"number_observations_unique": 332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 51.040
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}