Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6cc122c7f66ec4bb9bb2d89197d4159e",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.80,
"b": 96.59,
"c": 57.85,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92001],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.400,2.100],
"number_observations": 89704,
"number_observations_unique": 13869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 18.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.150,2.100],
"number_observations": 6552,
"number_observations_unique": 1007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.660
},
{
"type": "R(pim)",
"value": 0.279
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.859
}
]
},
{
"resolution_limits": [41.400,9.390],
"number_observations": 1094,
"number_observations_unique": 185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 59.100
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}