Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "341aba86de553bab8bcdb73fd66222a7",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.215,
"b": 84.801,
"c": 88.072,
"alpha": 90.00,
"beta": 130.96,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.590,1.300],
"number_observations": 753098,
"number_observations_unique": 123985,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 21.300
},
{
"type": "Completeness",
"value": 71.600
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.370,1.300],
"number_observations": 7366,
"number_observations_unique": 3307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.646
},
{
"type": "R(meas)",
"value": 0.807
},
{
"type": "R(pim)",
"value": 0.472
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 13.100
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.645
}
]
},
{
"resolution_limits": [63.590,4.110],
"number_observations": 38368,
"number_observations_unique": 5610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 82.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}