Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d6ea85cb2988206e97945e2189bee311",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.502,
"b": 88.502,
"c": 39.186,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.580,1.040],
"number_observations": 941603,
"number_observations_unique": 143861,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 6.440
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.545
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.100,1.040],
"number_observations": 147720,
"number_observations_unique": 23112,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.380
},
{
"type": "R(meas)",
"value": 2.591
},
{
"type": "I/SigI",
"value": 0.460
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.391
},
{
"type": "CC(1/2)",
"value": 0.579
}
]
},
{
"resolution_limits": [1.180,1.100],
"number_observations": 144344,
"number_observations_unique": 21926,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.227
},
{
"type": "R(meas)",
"value": 1.332
},
{
"type": "I/SigI",
"value": 0.950
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.583
},
{
"type": "CC(1/2)",
"value": 0.795
}
]
},
{
"resolution_limits": [1.280,1.180],
"number_observations": 130962,
"number_observations_unique": 19926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.682
},
{
"type": "R(meas)",
"value": 0.741
},
{
"type": "I/SigI",
"value": 1.740
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.572
},
{
"type": "CC(1/2)",
"value": 0.909
}
]
},
{
"resolution_limits": [1.400,1.280],
"number_observations": 130325,
"number_observations_unique": 18823,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.422
},
{
"type": "R(meas)",
"value": 0.456
},
{
"type": "I/SigI",
"value": 3.070
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.924
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [1.560,1.400],
"number_observations": 114182,
"number_observations_unique": 17071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "R(meas)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 5.550
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.689
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [1.800,1.560],
"number_observations": 96978,
"number_observations_unique": 14774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "I/SigI",
"value": 10.240
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.564
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.210,1.800],
"number_observations": 82309,
"number_observations_unique": 12763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 16.990
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.449
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.120,2.210],
"number_observations": 57414,
"number_observations_unique": 9867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 20.560
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.819
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [39.580,3.120],
"number_observations": 37368,
"number_observations_unique": 5598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 24.470
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.675
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}