Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f5cbaec70449af3d9644411d9d1f27b9",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 198.973,
"b": 79.960,
"c": 94.110,
"alpha": 90.000,
"beta": 117.279,
"gamma": 90.000
},
"wavelengths": [0.97700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [82.51,2.575],
"number_observations_unique": 40378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 8.6
},
{
"type": "Completeness",
"value": 96.7
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.620,2.575],
"number_observations_unique": 2065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.447
},
{
"type": "R(meas)",
"value": 0.527
},
{
"type": "R(pim)",
"value": 0.278
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.91
}
]
}
]
}