Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d92bc86b4f390abcb3a01fa3dbcc7cd7",
"space_group_name": "P 1",
"unit_cell": {
"a": 43.815,
"b": 48.517,
"c": 70.739,
"alpha": 82.70,
"beta": 79.14,
"gamma": 72.41
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.120,2.150],
"number_observations": 68282,
"number_observations_unique": 27300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 8.280
},
{
"type": "Completeness",
"value": 91.800
},
{
"type": "Redundancy",
"value": 2.501
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.280,2.150],
"number_observations": 11094,
"number_observations_unique": 4445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.881
},
{
"type": "R(meas)",
"value": 1.115
},
{
"type": "I/SigI",
"value": 0.920
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 2.496
},
{
"type": "CC(1/2)",
"value": 0.529
}
]
},
{
"resolution_limits": [2.430,2.280],
"number_observations": 10489,
"number_observations_unique": 4145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.485
},
{
"type": "R(meas)",
"value": 0.614
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 2.531
},
{
"type": "CC(1/2)",
"value": 0.814
}
]
},
{
"resolution_limits": [2.630,2.430],
"number_observations": 8914,
"number_observations_unique": 3639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.322
},
{
"type": "R(meas)",
"value": 0.409
},
{
"type": "I/SigI",
"value": 2.440
},
{
"type": "Completeness",
"value": 87.500
},
{
"type": "Redundancy",
"value": 2.450
},
{
"type": "CC(1/2)",
"value": 0.888
}
]
},
{
"resolution_limits": [2.880,2.630],
"number_observations": 9463,
"number_observations_unique": 3704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "R(meas)",
"value": 0.255
},
{
"type": "I/SigI",
"value": 4.250
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 2.555
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [3.220,2.880],
"number_observations": 8375,
"number_observations_unique": 3307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 7.340
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 2.533
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [3.710,3.220],
"number_observations": 6774,
"number_observations_unique": 2758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 12.950
},
{
"type": "Completeness",
"value": 89.700
},
{
"type": "Redundancy",
"value": 2.456
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.540,3.710],
"number_observations": 5948,
"number_observations_unique": 2395,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 21.360
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 2.484
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.390,4.540],
"number_observations": 4659,
"number_observations_unique": 1881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 24.050
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 2.477
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [46.120,6.390],
"number_observations": 2566,
"number_observations_unique": 1026,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 33.090
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 2.501
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}