Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "24178db9fa684d2f6bd0bf3c80885b77",
"space_group_name": "P 21 3",
"unit_cell": {
"a": 176.981,
"b": 176.981,
"c": 176.981,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54190],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.500,2.700],
"number_observations": 376482,
"number_observations_unique": 50726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.790,2.700],
"number_observations": 34207,
"number_observations_unique": 4638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.742
},
{
"type": "R(meas)",
"value": 0.798
},
{
"type": "R(pim)",
"value": 0.292
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.899
}
]
},
{
"resolution_limits": [29.500,10.810],
"number_observations": 5439,
"number_observations_unique": 824,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 22.100
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}