Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8d86abaee4b22e1f47530765240ad3fd",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 54.074,
"b": 68.823,
"c": 88.759,
"alpha": 90.00,
"beta": 107.05,
"gamma": 90.00
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [84.860,1.650],
"number_observations_unique": 71357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 7310,
"number_observations_unique": 2724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.833
},
{
"type": "R(meas)",
"value": 0.998
},
{
"type": "R(pim)",
"value": 0.537
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 74.100
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.600
}
]
},
{
"resolution_limits": [84.860,9.050],
"number_observations": 1657,
"number_observations_unique": 479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 20.800
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}