Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3e5b603ab7caded8f61c962e4e67ffb1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.62,
"b": 77.69,
"c": 99.64,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [77.690,1.840],
"number_observations": 172274,
"number_observations_unique": 26747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.840],
"number_observations": 13003,
"number_observations_unique": 1925,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.657
},
{
"type": "R(meas)",
"value": 1.793
},
{
"type": "R(pim)",
"value": 0.679
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.541
}
]
},
{
"resolution_limits": [77.690,8.230],
"number_observations": 2055,
"number_observations_unique": 368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 40.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}