Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "df94a0333f339837e459dae975025ed2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.76,
"b": 172.97,
"c": 44.72,
"alpha": 90.0,
"beta": 93.6,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.630,2.200],
"number_observations": 108761,
"number_observations_unique": 32260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.460,2.200],
"number_observations": 30751,
"number_observations_unique": 9175,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.453
},
{
"type": "R(meas)",
"value": 0.540
},
{
"type": "R(pim)",
"value": 0.291
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.831
}
]
},
{
"resolution_limits": [44.630,4.920],
"number_observations": 9018,
"number_observations_unique": 2821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 31.000
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}