Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8d286ca0e301d753997757d833c262c1",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 83.36,
"b": 27.41,
"c": 56.52,
"alpha": 90.00,
"beta": 100.34,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.000,1.240],
"number_observations": 99102,
"number_observations_unique": 35113,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.260,1.240],
"number_observations": 3283,
"number_observations_unique": 1659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.449
},
{
"type": "R(meas)",
"value": 0.591
},
{
"type": "R(pim)",
"value": 0.381
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.756
}
]
},
{
"resolution_limits": [41.000,6.790],
"number_observations": 712,
"number_observations_unique": 239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 39.400
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}