Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "50a30e62efc50df415bcbce561d8069a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 169.544,
"b": 222.739,
"c": 194.661,
"alpha": 90.0,
"beta": 101.9,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.155,3.410],
"number_observations_unique": 95996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.657
},
{
"type": "R(meas)",
"value": 0.710
},
{
"type": "R(pim)",
"value": 0.267
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
"refln_shells": [
{
"resolution_limits": [3.470,3.410],
"number_observations": 32004,
"number_observations_unique": 4693,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.320
},
{
"type": "R(meas)",
"value": 3.596
},
{
"type": "R(pim)",
"value": 1.369
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.241
}
]
},
{
"resolution_limits": [49.150,18.680],
"number_observations": 4217,
"number_observations_unique": 584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 34.400
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}