Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6dde22644fb40fd9d207f1a959d6bfa7",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 77.34,
"b": 77.34,
"c": 71.62,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.550,1.790],
"number_observations": 270580,
"number_observations_unique": 21087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.790],
"number_observations": 18922,
"number_observations_unique": 1518,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.608
},
{
"type": "R(meas)",
"value": 2.720
},
{
"type": "R(pim)",
"value": 0.766
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.502
}
]
},
{
"resolution_limits": [52.550,8.010],
"number_observations": 3182,
"number_observations_unique": 298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 53.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}