Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3b3c4b5f9071076599ff9d073cb9dbdd",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 105.764,
"b": 136.299,
"c": 116.565,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.160,1.320],
"number_observations": 1457835,
"number_observations_unique": 195760,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 17.340
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.447
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.400,1.320],
"number_observations": 234638,
"number_observations_unique": 31190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.635
},
{
"type": "R(meas)",
"value": 0.682
},
{
"type": "I/SigI",
"value": 2.860
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.523
},
{
"type": "CC(1/2)",
"value": 0.840
}
]
},
{
"resolution_limits": [1.500,1.400],
"number_observations": 216793,
"number_observations_unique": 29539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.433
},
{
"type": "R(meas)",
"value": 0.466
},
{
"type": "I/SigI",
"value": 4.140
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.339
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
},
{
"resolution_limits": [1.620,1.500],
"number_observations": 185575,
"number_observations_unique": 27578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "R(meas)",
"value": 0.290
},
{
"type": "I/SigI",
"value": 6.230
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.729
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [1.770,1.620],
"number_observations": 200912,
"number_observations_unique": 25477,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.190
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.886
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [1.980,1.770],
"number_observations": 180966,
"number_observations_unique": 23042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 16.990
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.854
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.280,1.980],
"number_observations": 154761,
"number_observations_unique": 20405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 27.010
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.584
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.800,2.280],
"number_observations": 119405,
"number_observations_unique": 17329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 34.740
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.890
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.950,2.800],
"number_observations": 104280,
"number_observations_unique": 13523,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 53.030
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.711
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [39.160,3.950],
"number_observations": 60505,
"number_observations_unique": 7677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 63.580
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.881
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}