Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e38936097286530634e4c850f33f916d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 115.22,
"b": 52.33,
"c": 121.29,
"alpha": 90.00,
"beta": 93.15,
"gamma": 90.00
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.148,1.350],
"number_observations": 584776,
"number_observations_unique": 157491,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 11.270
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.713
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.390,1.350],
"number_observations_unique": 11597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.510
},
{
"type": "R(meas)",
"value": 0.600
},
{
"type": "I/SigI",
"value": 2.390
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.672
},
{
"type": "CC(1/2)",
"value": 0.833
}
]
},
{
"resolution_limits": [1.420,1.390],
"number_observations_unique": 11384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.396
},
{
"type": "R(meas)",
"value": 0.465
},
{
"type": "I/SigI",
"value": 3.010
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.682
},
{
"type": "CC(1/2)",
"value": 0.897
}
]
},
{
"resolution_limits": [1.460,1.420],
"number_observations_unique": 11018,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.336
},
{
"type": "R(meas)",
"value": 0.395
},
{
"type": "I/SigI",
"value": 3.590
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.690
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
},
{
"resolution_limits": [1.510,1.460],
"number_observations_unique": 10720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.259
},
{
"type": "R(meas)",
"value": 0.304
},
{
"type": "I/SigI",
"value": 4.580
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.704
},
{
"type": "CC(1/2)",
"value": 0.943
}
]
},
{
"resolution_limits": [1.560,1.510],
"number_observations_unique": 10403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "R(meas)",
"value": 0.242
},
{
"type": "I/SigI",
"value": 5.740
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.720
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [1.610,1.560],
"number_observations_unique": 10036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "R(meas)",
"value": 0.203
},
{
"type": "I/SigI",
"value": 6.810
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.728
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [1.670,1.610],
"number_observations_unique": 9698,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 8.040
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.727
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [1.740,1.670],
"number_observations_unique": 9346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 9.760
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.738
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [1.820,1.740],
"number_observations_unique": 8870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 11.450
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.734
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [1.910,1.820],
"number_observations_unique": 8559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 12.770
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.742
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.010,1.910],
"number_observations_unique": 8046,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 15.250
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.698
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.130,2.010],
"number_observations_unique": 7673,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 17.660
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.732
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.280,2.130],
"number_observations_unique": 7210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 18.160
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.670
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.460,2.280],
"number_observations_unique": 6723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 19.850
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.751
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.700,2.460],
"number_observations_unique": 6214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 21.150
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.755
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.020,2.700],
"number_observations_unique": 5665,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 22.260
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.767
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.490,3.020],
"number_observations_unique": 5035,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 23.320
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.766
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.270,3.490],
"number_observations_unique": 4211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 23.580
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.720
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [6.040,4.270],
"number_observations_unique": 3300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 23.730
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.671
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [31.148,6.040],
"number_observations_unique": 1783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 22.750
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.418
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}