Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "022de55002ddb15b83dafb897dc30a59",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 37.497,
"b": 51.350,
"c": 88.663,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.45863],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.44,1.850],
"number_observations_unique": 15168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations_unique": 910,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.692
},
{
"type": "R(meas)",
"value": 1.802
},
{
"type": "R(pim)",
"value": 0.601
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 8.700
},
{
"type": "CC(1/2)",
"value": 0.602
}
]
},
{
"resolution_limits": [44.440,9.060],
"number_observations_unique": 164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}