Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a53ac3afff9f7598d2034897ec2c7cfd",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.33,
"b": 96.62,
"c": 98.83,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.090,1.650],
"number_observations": 800904,
"number_observations_unique": 64082,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 26.100
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.650],
"number_observations": 45192,
"number_observations_unique": 4673,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.937
},
{
"type": "R(meas)",
"value": 0.991
},
{
"type": "R(pim)",
"value": 0.310
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.821
}
]
},
{
"resolution_limits": [69.090,7.380],
"number_observations": 7799,
"number_observations_unique": 806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 53.700
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}