Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "064ef91bf768e54d588262e7455788cd",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 85.206,
"b": 92.555,
"c": 128.698,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.278,2.780],
"number_observations": 92390,
"number_observations_unique": 25234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 18.670
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 3.661
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.030,2.780],
"number_observations_unique": 5670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.435
},
{
"type": "R(meas)",
"value": 0.506
},
{
"type": "I/SigI",
"value": 3.150
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.760
},
{
"type": "CC(1/2)",
"value": 0.919
}
]
},
{
"resolution_limits": [3.340,3.030],
"number_observations_unique": 4873,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "R(meas)",
"value": 0.238
},
{
"type": "I/SigI",
"value": 6.390
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.545
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [3.840,3.340],
"number_observations_unique": 4976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 14.880
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.855
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.680,3.840],
"number_observations_unique": 4275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 25.930
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.534
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.930,4.680],
"number_observations_unique": 2687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 36.330
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 3.642
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [7.620,5.930],
"number_observations_unique": 1411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 44.010
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.592
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [11.110,7.620],
"number_observations_unique": 898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 55.530
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.540
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [17.790,11.110],
"number_observations_unique": 333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.014
},
{
"type": "R(meas)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 61.730
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 3.285
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [46.278,17.790],
"number_observations_unique": 111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 64.560
},
{
"type": "Completeness",
"value": 88.800
},
{
"type": "Redundancy",
"value": 3.441
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}