Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7923e31386252826544f07ec31f94f04",
"space_group_name": "P 1",
"unit_cell": {
"a": 33.33,
"b": 44.52,
"c": 44.76,
"alpha": 61.27,
"beta": 68.65,
"gamma": 78.17
},
"wavelengths": [0.97850],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.320,1.620],
"number_observations": 158892,
"number_observations_unique": 25794,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 21.400
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.650,1.620],
"number_observations": 7770,
"number_observations_unique": 1340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [37.320,8.710],
"number_observations": 1280,
"number_observations_unique": 170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 38.300
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}