Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e33ada82712aa9e77223d2b79e3f7a91",
"space_group_name": "I 21 3",
"unit_cell": {
"a": 146.53,
"b": 146.53,
"c": 146.53,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.87310],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.51,4.490],
"number_observations_unique": 3184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [4.650,4.490],
"number_observations_unique": 273,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.259
},
{
"type": "R(meas)",
"value": 1.585
},
{
"type": "R(pim)",
"value": 0.944
},
{
"type": "I/SigI",
"value": 0.6
},
{
"type": "Completeness",
"value": 87.400
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.211
}
]
},
{
"resolution_limits": [46.340,17.380],
"number_observations_unique": 59,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 22.7
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}