Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "94b90b97c0b74c5a13704ecb2524b5f1",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 114.39,
"b": 43.77,
"c": 43.14,
"alpha": 90.00,
"beta": 100.53,
"gamma": 90.00
},
"wavelengths": [0.95373],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.41,2.01],
"number_observations_unique": 14169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.060,2.010],
"number_observations_unique": 1030,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.585
},
{
"type": "R(meas)",
"value": 0.632
},
{
"type": "R(pim)",
"value": 0.235
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
}
]
}