Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "14d08aaeb6601b7a1bf6e671e9cf985a",
"space_group_name": "P 1",
"unit_cell": {
"a": 56.630,
"b": 66.276,
"c": 72.665,
"alpha": 71.67,
"beta": 73.08,
"gamma": 69.88
},
"wavelengths": [0.87313],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.04,2.10],
"number_observations": 108429,
"number_observations_unique": 50203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 5.1
},
{
"type": "Completeness",
"value": 93.3
},
{
"type": "Redundancy",
"value": 2.2
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.16,2.10],
"number_observations": 5236,
"number_observations_unique": 2692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.894
},
{
"type": "R(meas)",
"value": 1.175
},
{
"type": "R(pim)",
"value": 0.753
},
{
"type": "I/SigI",
"value": 1.0
},
{
"type": "Redundancy",
"value": 1.9
},
{
"type": "CC(1/2)",
"value": 0.619
}
]
}
]
}