Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "14b93a3bce0a7c56275f78f2771e79aa",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 72.835,
"b": 88.222,
"c": 98.047,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96546],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.024,3.000],
"number_observations_unique": 24161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.254
},
{
"type": "R(meas)",
"value": 0.284
},
{
"type": "R(pim)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [3.180,3.000],
"number_observations": 9151,
"number_observations_unique": 3422,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.631
},
{
"type": "R(meas)",
"value": 2.011
},
{
"type": "R(pim)",
"value": 1.158
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 85.400
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.250
}
]
},
{
"resolution_limits": [49.020,9.000],
"number_observations": 4757,
"number_observations_unique": 959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 17.300
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}