Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "19bac167df0a3b91fef82714a718f1b6",
"space_group_name": "P 1",
"unit_cell": {
"a": 74.59,
"b": 134.84,
"c": 42.15,
"alpha": 97.72,
"beta": 91.44,
"gamma": 89.38
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.570,3.200],
"number_observations": 247473,
"number_observations_unique": 26841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.662
},
{
"type": "R(meas)",
"value": 0.701
},
{
"type": "R(pim)",
"value": 0.225
},
{
"type": "I/SigI",
"value": 3.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.924
}
]
},
"refln_shells": [
{
"resolution_limits": [3.420,3.200],
"number_observations": 44239,
"number_observations_unique": 4853,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.292
},
{
"type": "R(meas)",
"value": 2.429
},
{
"type": "R(pim)",
"value": 0.786
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.444
}
]
},
{
"resolution_limits": [49.570,9.050],
"number_observations": 12057,
"number_observations_unique": 1181,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "R(meas)",
"value": 0.188
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}