Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9e7ce3ee6f9d900a6f1c173ee8c5dd9d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 38.273,
"b": 33.093,
"c": 64.418,
"alpha": 90.00,
"beta": 101.69,
"gamma": 90.00
},
"wavelengths": [0.92120],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.49,1.14],
"number_observations": 230629,
"number_observations_unique": 44736,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 14.0
},
{
"type": "Completeness",
"value": 77.3
},
{
"type": "Redundancy",
"value": 5.2
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.16,1.14],
"number_observations": 181,
"number_observations_unique": 179,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.376
},
{
"type": "R(meas)",
"value": 24.573
},
{
"type": "R(pim)",
"value": 1.376
},
{
"type": "I/SigI",
"value": 0.3
},
{
"type": "Redundancy",
"value": 1.0
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}