Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9feeabc0104a7ba628bc0f44917b0c82",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.53,
"b": 77.10,
"c": 99.57,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.550,1.760],
"number_observations": 195176,
"number_observations_unique": 30225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.760],
"number_observations": 13171,
"number_observations_unique": 2172,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.873
},
{
"type": "R(meas)",
"value": 2.050
},
{
"type": "R(pim)",
"value": 0.824
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.421
}
]
},
{
"resolution_limits": [38.550,7.870],
"number_observations": 2312,
"number_observations_unique": 402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 41.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}