Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4acd387db83e1d28f3770e0f1d6b8609",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 59.382,
"b": 63.383,
"c": 72.726,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.790,0.990],
"number_observations": 1447737,
"number_observations_unique": 135359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 24.900
},
{
"type": "Completeness",
"value": 87.400
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.040,0.990],
"number_observations": 24202,
"number_observations_unique": 7792,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.382
},
{
"type": "R(meas)",
"value": 0.458
},
{
"type": "R(pim)",
"value": 0.244
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 35.000
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.813
}
]
},
{
"resolution_limits": [47.790,3.120],
"number_observations": 61202,
"number_observations_unique": 5247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 41.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}