Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b58020763a75fefe85709a40d68c6cfc",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 43.804,
"b": 53.936,
"c": 70.079,
"alpha": 90.00,
"beta": 92.06,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.780,1.200],
"number_observations_unique": 96799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 17.700
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.220,1.200],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.337
},
{
"type": "Completeness",
"value": 91.800
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.913
}
]
},
{
"resolution_limits": [43.780,6.570],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}