Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "862b05d45e7ef85df7aa3a72e9013cd3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.629,
"b": 49.536,
"c": 115.265,
"alpha": 90.00,
"beta": 95.43,
"gamma": 90.00
},
"wavelengths": [0.91790],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [114.740,1.910],
"number_observations": 246477,
"number_observations_unique": 70825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.910],
"number_observations": 15627,
"number_observations_unique": 4384,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.192
},
{
"type": "R(meas)",
"value": 1.407
},
{
"type": "R(pim)",
"value": 0.743
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.256
}
]
},
{
"resolution_limits": [114.740,9.160],
"number_observations": 2184,
"number_observations_unique": 717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 63.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.896
}
]
}
]
}