Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3451b9338f66cf5bf52bce2f6221f18d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.672,
"b": 53.568,
"c": 44.529,
"alpha": 90.00,
"beta": 101.31,
"gamma": 90.00
},
"wavelengths": [0.91300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.280,1.830],
"number_observations": 86780,
"number_observations_unique": 22617,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.830],
"number_observations": 13181,
"number_observations_unique": 3321,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.505
},
{
"type": "R(meas)",
"value": 1.737
},
{
"type": "R(pim)",
"value": 0.859
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.440
}
]
},
{
"resolution_limits": [48.280,5.780],
"number_observations": 2724,
"number_observations_unique": 764,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 32.500
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}