Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "04493360ed4393f61c7fbee913c56647",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 43.874,
"b": 102.005,
"c": 146.847,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.950,2.020],
"number_observations": 292337,
"number_observations_unique": 44202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.070,2.020],
"number_observations": 21323,
"number_observations_unique": 3226,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.230
},
{
"type": "R(meas)",
"value": 2.422
},
{
"type": "R(pim)",
"value": 0.934
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.349
}
]
},
{
"resolution_limits": [48.950,9.030],
"number_observations": 3299,
"number_observations_unique": 587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 36.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}