Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0f5b3404e5f9c5ceb3c1451fab094ded",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 41.454,
"b": 46.808,
"c": 57.299,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00003],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.040,1.310],
"number_observations": 356383,
"number_observations_unique": 27833,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 19.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.330,1.310],
"number_observations": 14979,
"number_observations_unique": 1334,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.538
},
{
"type": "R(meas)",
"value": 1.611
},
{
"type": "R(pim)",
"value": 0.468
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.549
}
]
},
{
"resolution_limits": [47.040,7.040],
"number_observations": 2393,
"number_observations_unique": 226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 56.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}