Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6cc3108583c921dde9805ccc9bf20cc6",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 53.27,
"b": 53.27,
"c": 109.89,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [13.740,2.100],
"number_observations": 29177,
"number_observations_unique": 11001,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations_unique": 896,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "R(meas)",
"value": 0.300
},
{
"type": "R(pim)",
"value": 0.199
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.884
}
]
},
{
"resolution_limits": [13.740,8.660],
"number_observations_unique": 140,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 72.600
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}