Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "6e88d56476d15e203fe81a6bcacc26de",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 83.00,
"b": 83.00,
"c": 133.86,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.910,2.580],
"number_observations": 342645,
"number_observations_unique": 17355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 24.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.650,2.580],
"number_observations": 26008,
"number_observations_unique": 1237,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.715
},
{
"type": "R(meas)",
"value": 1.757
},
{
"type": "R(pim)",
"value": 0.381
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 21.000
},
{
"type": "CC(1/2)",
"value": 0.867
}
]
},
{
"resolution_limits": [37.910,11.540],
"number_observations": 2815,
"number_observations_unique": 229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 59.000
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}