Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e19c3beb9cca9f6f18fa0eb37b942a21",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 74.269,
"b": 74.269,
"c": 174.064,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.080,1.590],
"number_observations": 316891,
"number_observations_unique": 68704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 90.600
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.590],
"number_observations": 6420,
"number_observations_unique": 2298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.389
},
{
"type": "R(pim)",
"value": 0.246
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 62.200
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.871
}
]
},
{
"resolution_limits": [43.080,8.710],
"number_observations": 2728,
"number_observations_unique": 539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 39.300
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}