Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b044192d4e9b7e2d0d90341da49591b4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.283,
"b": 51.580,
"c": 79.450,
"alpha": 90.00,
"beta": 92.02,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.260,1.660],
"number_observations": 315104,
"number_observations_unique": 41408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.660],
"number_observations_unique": 1674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.786
},
{
"type": "R(meas)",
"value": 0.845
},
{
"type": "R(pim)",
"value": 0.306
},
{
"type": "Completeness",
"value": 80.600
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.802
}
]
},
{
"resolution_limits": [44.260,9.080],
"number_observations_unique": 277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}