Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6a6949108525177bd56660df60c59bd5",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 108.299,
"b": 143.382,
"c": 164.469,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [14.977,2.200],
"number_observations": 689772,
"number_observations_unique": 124961,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "I/SigI",
"value": 8.320
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.520
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.330,2.200],
"number_observations_unique": 19779,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.345
},
{
"type": "R(meas)",
"value": 2.599
},
{
"type": "I/SigI",
"value": 0.720
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.419
},
{
"type": "CC(1/2)",
"value": 0.424
}
]
},
{
"resolution_limits": [2.490,2.330],
"number_observations_unique": 18726,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.475
},
{
"type": "R(meas)",
"value": 1.637
},
{
"type": "I/SigI",
"value": 1.130
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.348
},
{
"type": "CC(1/2)",
"value": 0.686
}
]
},
{
"resolution_limits": [2.680,2.490],
"number_observations_unique": 17440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.989
},
{
"type": "R(meas)",
"value": 1.092
},
{
"type": "I/SigI",
"value": 1.780
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.576
},
{
"type": "CC(1/2)",
"value": 0.805
}
]
},
{
"resolution_limits": [2.930,2.680],
"number_observations_unique": 16101,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.586
},
{
"type": "R(meas)",
"value": 0.646
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.687
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [3.260,2.930],
"number_observations_unique": 14601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.297
},
{
"type": "R(meas)",
"value": 0.328
},
{
"type": "I/SigI",
"value": 5.550
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.510
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [3.730,3.260],
"number_observations_unique": 12951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 11.720
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.323
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.500,3.730],
"number_observations_unique": 11094,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 22.880
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.830
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.100,4.500],
"number_observations_unique": 8765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 25.020
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.572
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [14.977,6.100],
"number_observations_unique": 5504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 39.830
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 5.581
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}