Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cecc126cb068b44b2ef2675b9d173071",
"space_group_name": "F 4 3 2",
"unit_cell": {
"a": 170.718,
"b": 170.718,
"c": 170.718,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.28,2.20],
"number_observations": 441158,
"number_observations_unique": 11356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 26.3
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 38.8
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.27,2.20],
"number_observations": 39929,
"number_observations_unique": 962,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.706
},
{
"type": "R(meas)",
"value": 2.740
},
{
"type": "R(pim)",
"value": 0.423
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Redundancy",
"value": 41.5
},
{
"type": "CC(1/2)",
"value": 0.693
}
]
}
]
}