Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ec5b5533c6fa51d5405fe5d837e54fe8",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.487,
"b": 46.749,
"c": 174.360,
"alpha": 90.00,
"beta": 108.23,
"gamma": 90.00
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [82.810,2.000],
"number_observations_unique": 66457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 1.614
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.289
}
]
},
{
"resolution_limits": [82.810,9.380],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
}
]
}