Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6a0eabc5f19364f474c1fa6b0980f5eb",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 43.394,
"b": 68.636,
"c": 66.951,
"alpha": 90.00,
"beta": 96.32,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.780,2.500],
"number_observations": 47603,
"number_observations_unique": 13579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.600,2.500],
"number_observations": 5356,
"number_observations_unique": 1541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.469
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.856
}
]
},
{
"resolution_limits": [47.780,9.010],
"number_observations": 1056,
"number_observations_unique": 307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}