Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bb35777c90c489d0ab8d9dd222613b6a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 61.250,
"b": 94.261,
"c": 75.667,
"alpha": 90.00,
"beta": 92.69,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [61.18,2.30],
"number_observations_unique": 74669,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.147
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 8.9
},
{
"type": "Completeness",
"value": 99.79
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.89
}
]
},
"refln_shells": [
{
"resolution_limits": [2.34,2.3],
"number_observations_unique": 1865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.782
},
{
"type": "R(meas)",
"value": 0.846
},
{
"type": "R(pim)",
"value": 0.319
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 98.36
},
{
"type": "CC(1/2)",
"value": 0.865
}
]
},
{
"resolution_limits": [61.2,6.23],
"number_observations_unique": 1965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 26.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}