Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "174d85b45e105bf29bf1bde8a78cd660",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 72.663,
"b": 61.672,
"c": 32.741,
"alpha": 90.00,
"beta": 92.96,
"gamma": 90.00
},
"wavelengths": [0.92201],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.99,2.49],
"number_observations": 22561,
"number_observations_unique": 5130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.259
},
{
"type": "R(meas)",
"value": 0.295
},
{
"type": "R(pim)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 3.3
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.4
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
"refln_shells": [
{
"resolution_limits": [2.62,2.49],
"number_observations": 3264,
"number_observations_unique": 727,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.230
},
{
"type": "R(meas)",
"value": 1.404
},
{
"type": "R(pim)",
"value": 0.666
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Redundancy",
"value": 4.5
},
{
"type": "CC(1/2)",
"value": 0.386
}
]
}
]
}