Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "00f9d627b37b03442a8ac9370d28553f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 96.854,
"b": 59.852,
"c": 61.352,
"alpha": 90.00,
"beta": 110.24,
"gamma": 90.00
},
"wavelengths": [0.97931],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.330,1.760],
"number_observations": 122769,
"number_observations_unique": 32373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.760],
"number_observations": 17916,
"number_observations_unique": 4700,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.114
},
{
"type": "R(meas)",
"value": 1.296
},
{
"type": "R(pim)",
"value": 0.658
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.588
}
]
},
{
"resolution_limits": [29.330,5.570],
"number_observations": 3670,
"number_observations_unique": 1021,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 13.700
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}