Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4e9667cf16127b820b2c9b0a2dc7c1e9",
"space_group_name": "P 41 2 2",
"unit_cell": {
"a": 105.798,
"b": 105.798,
"c": 191.516,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.61,2.610],
"number_observations_unique": 33957,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.263
},
{
"type": "R(meas)",
"value": 0.281
},
{
"type": "R(pim)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.720,2.610],
"number_observations": 30352,
"number_observations_unique": 4033,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.994
},
{
"type": "R(meas)",
"value": 1.066
},
{
"type": "R(pim)",
"value": 0.381
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.583
}
]
},
{
"resolution_limits": [48.560,9.030],
"number_observations": 6659,
"number_observations_unique": 958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 27.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}