Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "054c5db0ea445cacde281f19d94fa3ea",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 114.855,
"b": 114.855,
"c": 119.273,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [82.77,2.04],
"number_observations": 301926,
"number_observations_unique": 48793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 8.5
},
{
"type": "Completeness",
"value": 96.2
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.10,2.04],
"number_observations": 22673,
"number_observations_unique": 3829,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.509
},
{
"type": "R(meas)",
"value": 0.558
},
{
"type": "R(pim)",
"value": 0.220
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Redundancy",
"value": 5.9
},
{
"type": "CC(1/2)",
"value": 0.854
}
]
}
]
}