Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "045017315ba3978c5c00c6643c4d75ea",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 149.455,
"b": 84.560,
"c": 76.885,
"alpha": 90.00,
"beta": 119.07,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.601,2.000],
"number_observations_unique": 56449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.439
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 14.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 3.495
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 14.800
},
{
"type": "CC(1/2)",
"value": 0.574
}
]
},
{
"resolution_limits": [33.600,8.940],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 15.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}