Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7c53510a6a2e316e04355cfc9527f121",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.621,
"b": 71.621,
"c": 150.686,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.480,1.400],
"number_observations": 1008266,
"number_observations_unique": 78520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 29.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 36490,
"number_observations_unique": 3546,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.917
},
{
"type": "R(meas)",
"value": 0.965
},
{
"type": "R(pim)",
"value": 0.292
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 10.300
},
{
"type": "CC(1/2)",
"value": 0.768
}
]
},
{
"resolution_limits": [29.480,7.640],
"number_observations": 6838,
"number_observations_unique": 587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 98.200
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}