Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "36aaf16f539a7a893d0ae0f2944e3adf",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 65.76,
"b": 65.76,
"c": 95.65,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.07500,0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.190,2.900],
"number_observations": 122494,
"number_observations_unique": 4975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 24.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [3.080,2.900],
"number_observations": 20277,
"number_observations_unique": 775,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.447
},
{
"type": "R(pim)",
"value": 0.283
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 26.200
},
{
"type": "CC(1/2)",
"value": 0.856
}
]
},
{
"resolution_limits": [54.190,8.700],
"number_observations": 4571,
"number_observations_unique": 216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 26.900
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 21.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}