Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b6cc8258e6798eaf714256a60282d92e",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.48,
"b": 96.99,
"c": 58.20,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92001],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.700,2.080],
"number_observations": 92813,
"number_observations_unique": 14239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.130,2.080],
"number_observations": 6808,
"number_observations_unique": 1038,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.672
},
{
"type": "R(pim)",
"value": 0.280
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.886
}
]
},
{
"resolution_limits": [42.700,9.300],
"number_observations": 1153,
"number_observations_unique": 195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 25.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}