Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "08d6f5667e12098039303c4e865896cf",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 207.062,
"b": 112.753,
"c": 188.331,
"alpha": 90.00,
"beta": 92.15,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [103.458,1.885],
"number_observations": 1971411,
"number_observations_unique": 277488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 15.2
},
{
"type": "Completeness",
"value": 95.0
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.028,1.885],
"number_observations": 100781,
"number_observations_unique": 13875,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.279
},
{
"type": "R(pim)",
"value": 0.509
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Redundancy",
"value": 7.3
},
{
"type": "CC(1/2)",
"value": 0.642
}
]
},
{
"resolution_limits": [103.458,5.559],
"number_observations": 93491,
"number_observations_unique": 13872,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 48.3
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}