Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8458bab10daf1246a7f01fd94865be6e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.388,
"b": 41.320,
"c": 72.386,
"alpha": 90.0,
"beta": 104.4,
"gamma": 90.0
},
"wavelengths": [0.97700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.120,1.405],
"number_observations_unique": 47259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.430,1.410],
"number_observations": 6875,
"number_observations_unique": 2392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.414
},
{
"type": "R(meas)",
"value": 0.504
},
{
"type": "R(pim)",
"value": 0.284
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.822
}
]
},
{
"resolution_limits": [32.120,7.440],
"number_observations": 1048,
"number_observations_unique": 345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 25.400
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}