Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "dfda5b771719f306a9eb851da53ae3aa",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 105.26,
"b": 105.26,
"c": 160.65,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.17,1.62],
"number_observations_unique": 130668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 14.12
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 11.39
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.76,1.62],
"number_observations_unique": 19377,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.012
},
{
"type": "R(meas)",
"value": 2.688
},
{
"type": "I/SigI",
"value": 0.89
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "CC(1/2)",
"value": 0.542
}
]
},
{
"resolution_limits": [46.17,1.62],
"number_observations_unique": 4859,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 55.50
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}