Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f9b6aa9c4d20f2915ea08df16b85132c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.94,
"b": 97.95,
"c": 190.43,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.980,2.650],
"number_observations": 173010,
"number_observations_unique": 27529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.780,2.650],
"number_observations": 22088,
"number_observations_unique": 3581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.920
},
{
"type": "R(pim)",
"value": 0.405
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.815
}
]
},
{
"resolution_limits": [48.980,8.790],
"number_observations": 4567,
"number_observations_unique": 861,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 41.600
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}