Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5256a808851aeabb70c9eb0951f05da5",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 88.13,
"b": 88.13,
"c": 111.95,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.643,1.800],
"number_observations": 305083,
"number_observations_unique": 40952,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 26.720
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 7.450
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.800],
"number_observations_unique": 2924,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.510
},
{
"type": "R(meas)",
"value": 0.547
},
{
"type": "I/SigI",
"value": 3.590
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 7.615
},
{
"type": "CC(1/2)",
"value": 0.915
}
]
},
{
"resolution_limits": [1.900,1.850],
"number_observations_unique": 2886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.382
},
{
"type": "R(meas)",
"value": 0.410
},
{
"type": "I/SigI",
"value": 4.820
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 7.590
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [1.950,1.900],
"number_observations_unique": 2822,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.279
},
{
"type": "R(meas)",
"value": 0.299
},
{
"type": "I/SigI",
"value": 6.660
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 7.592
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [2.010,1.950],
"number_observations_unique": 2721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "R(meas)",
"value": 0.244
},
{
"type": "I/SigI",
"value": 8.230
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 7.563
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.080,2.010],
"number_observations_unique": 2654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 10.610
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 7.571
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.150,2.080],
"number_observations_unique": 2581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "I/SigI",
"value": 13.230
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 7.551
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.230,2.150],
"number_observations_unique": 2478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 17.550
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 7.544
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.320,2.230],
"number_observations_unique": 2420,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 20.920
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 7.498
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.430,2.320],
"number_observations_unique": 2312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 24.080
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.550,2.430],
"number_observations_unique": 2225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 28.090
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 7.498
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.680,2.550],
"number_observations_unique": 2120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 32.020
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.459
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.850,2.680],
"number_observations_unique": 2025,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 37.630
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.442
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.040,2.850],
"number_observations_unique": 1901,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 43.290
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.392
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.290,3.040],
"number_observations_unique": 1781,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 49.580
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.364
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.600,3.290],
"number_observations_unique": 1642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 57.350
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.324
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.030,3.600],
"number_observations_unique": 1516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 61.380
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.269
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.650,4.030],
"number_observations_unique": 1344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 64.970
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.211
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.690,4.650],
"number_observations_unique": 1148,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 65.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.079
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.050,5.690],
"number_observations_unique": 917,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 62.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.876
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [41.643,8.050],
"number_observations_unique": 535,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 62.180
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 6.054
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}