Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "15ad9eb9dbf15e86b93a2088494bd2c8",
"space_group_name": "P 41 3 2",
"unit_cell": {
"a": 168.19,
"b": 168.19,
"c": 168.19,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.550,2.600],
"number_observations": 752182,
"number_observations_unique": 25647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 29.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.730,2.600],
"number_observations": 94898,
"number_observations_unique": 3342,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.870
},
{
"type": "R(pim)",
"value": 0.545
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.400
},
{
"type": "CC(1/2)",
"value": 0.556
}
]
},
{
"resolution_limits": [48.550,8.620],
"number_observations": 22603,
"number_observations_unique": 831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 65.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 27.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}