Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "421839273e165027b533719dcaf0006e",
"space_group_name": "H 3",
"unit_cell": {
"a": 79.259,
"b": 79.259,
"c": 79.874,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.0600,1.680],
"number_observations": 82670,
"number_observations_unique": 18094,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 84.100
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.680],
"number_observations": 54,
"number_observations_unique": 51,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.260
},
{
"type": "R(meas)",
"value": 1.782
},
{
"type": "R(pim)",
"value": 1.260
},
{
"type": "I/SigI",
"value": 22.400
},
{
"type": "Completeness",
"value": 4.500
},
{
"type": "Redundancy",
"value": 1.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [34.520,9.020],
"number_observations": 798,
"number_observations_unique": 137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.800
}
]
}
]
}