Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "67fcab3516c800c7d80e8c4bb2f3ab52",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 89.280,
"b": 222.432,
"c": 98.979,
"alpha": 90.00,
"beta": 100.15,
"gamma": 90.00
},
"wavelengths": [0.95400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [89.240,3.400],
"number_observations": 72832,
"number_observations_unique": 25456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "R(pim)",
"value": 0.149
},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
"refln_shells": [
{
"resolution_limits": [3.630,3.400],
"number_observations": 13329,
"number_observations_unique": 4623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.711
},
{
"type": "R(pim)",
"value": 0.493
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.647
}
]
},
{
"resolution_limits": [89.240,9.610],
"number_observations": 3469,
"number_observations_unique": 1144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 58.500
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}