Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b1283fe3daa77665d656edaa82df2dad",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 54.88,
"b": 46.06,
"c": 83.98,
"alpha": 90.00,
"beta": 96.36,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.540,2.130],
"number_observations": 153299,
"number_observations_unique": 23574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.190,2.130],
"number_observations": 11706,
"number_observations_unique": 1751,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.623
},
{
"type": "R(pim)",
"value": 0.260
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.812
}
]
},
{
"resolution_limits": [54.540,9.530],
"number_observations": 1656,
"number_observations_unique": 281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 42.400
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}