Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3ef343436c0c5bf6c6131dda437d584e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.856,
"b": 66.170,
"c": 70.904,
"alpha": 90.00,
"beta": 91.42,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [70.880,2.000],
"number_observations": 273069,
"number_observations_unique": 36953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 14203,
"number_observations_unique": 2724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.586
},
{
"type": "R(meas)",
"value": 0.652
},
{
"type": "R(pim)",
"value": 0.283
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.792
}
]
},
{
"resolution_limits": [70.880,8.940],
"number_observations": 4022,
"number_observations_unique": 442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 24.100
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}