Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "5dbbec184a88d219cb7f57b4918c59f9",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 64.948,
"b": 68.791,
"c": 107.456,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91683],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.94,1.66],
"number_observations": 644704,
"number_observations_unique": 54814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 12.3
},
{
"type": "Completeness",
"value": 94.7
},
{
"type": "Redundancy",
"value": 11.8
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.75,1.66],
"number_observations": 37611,
"number_observations_unique": 6141,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.869
},
{
"type": "R(meas)",
"value": 2.020
},
{
"type": "R(pim)",
"value": 0.748
},
{
"type": "I/SigI",
"value": 1.0
},
{
"type": "Redundancy",
"value": 6.1
},
{
"type": "CC(1/2)",
"value": 0.690
}
]
}
]
}