Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2327ac56e0472f939820dae1d94ccd91",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 44.235,
"b": 44.235,
"c": 131.803,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.98010],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.15,1.65],
"number_observations_unique": 18792,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1518
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "R(pim)",
"value": 0.03536
},
{
"type": "I/SigI",
"value": 12.45
},
{
"type": "Completeness",
"value": 99.26
},
{
"type": "Redundancy",
"value": 18.7
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.709,1.65],
"number_observations_unique": 1852,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.8674
},
{
"type": "R(meas)",
"value": 0.9004
},
{
"type": "R(pim)",
"value": 0.2381
},
{
"type": "I/SigI",
"value": 23
},
{
"type": "Completeness",
"value": 99.84
},
{
"type": "Redundancy",
"value": 14.2
},
{
"type": "CC(1/2)",
"value": 0.585
}
]
},
{
"resolution_limits": [19.15,9.04],
"number_observations_unique": 138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 90.8
},
{
"type": "Redundancy",
"value": 15.1
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}