Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "11204ec8b6dca3c4f8420a404d1b87c0",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 82.700,
"b": 82.700,
"c": 422.968,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [140.989,3.048],
"number_observations_unique": 26412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.719
},
{
"type": "R(meas)",
"value": 0.742
},
{
"type": "R(pim)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 90.100
},
{
"type": "Redundancy",
"value": 16.800
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
"refln_shells": [
{
"resolution_limits": [3.325,3.065],
"number_observations": 17764,
"number_observations_unique": 1322,
"quality_factors": [
{
"type": "R(merge)",
"value": 11.714
},
{
"type": "R(meas)",
"value": 12.166
},
{
"type": "R(pim)",
"value": 3.182
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 38.300
},
{
"type": "Redundancy",
"value": 13.400
},
{
"type": "CC(1/2)",
"value": 0.638
}
]
},
{
"resolution_limits": [140.989,9.363],
"number_observations": 17369,
"number_observations_unique": 1320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 18.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}