Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d0bafc463fcb04084dda967ff387feb4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.415,
"b": 49.681,
"c": 116.275,
"alpha": 90.00,
"beta": 94.93,
"gamma": 90.00
},
"wavelengths": [0.91790],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [115.930,2.140],
"number_observations": 176701,
"number_observations_unique": 51348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
"refln_shells": [
{
"resolution_limits": [2.200,2.140],
"number_observations": 15260,
"number_observations_unique": 4319,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.348
},
{
"type": "R(meas)",
"value": 1.596
},
{
"type": "R(pim)",
"value": 0.847
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.266
}
]
},
{
"resolution_limits": [115.930,8.810],
"number_observations": 2503,
"number_observations_unique": 814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 55.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.921
}
]
}
]
}