Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c9d6dfeb8faded43a3aa548a7fed20de",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 91.453,
"b": 142.734,
"c": 97.697,
"alpha": 90.0,
"beta": 117.5,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.120,1.590],
"number_observations": 1416962,
"number_observations_unique": 271697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.590],
"number_observations": 114917,
"number_observations_unique": 26818,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.241
},
{
"type": "R(meas)",
"value": 1.402
},
{
"type": "R(pim)",
"value": 0.638
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 62.300
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.427
}
]
},
{
"resolution_limits": [81.120,5.040],
"number_observations": 49105,
"number_observations_unique": 9392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 40.600
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}