Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "240d99d9ed124c54dfce9af504d1c96c",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.887,
"b": 71.887,
"c": 151.212,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.590,1.360],
"number_observations": 1074528,
"number_observations_unique": 85627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 22.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.390,1.360],
"number_observations": 43192,
"number_observations_unique": 4354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.856
},
{
"type": "R(meas)",
"value": 0.902
},
{
"type": "R(pim)",
"value": 0.279
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.808
}
]
},
{
"resolution_limits": [29.590,7.200],
"number_observations": 8310,
"number_observations_unique": 697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 65.700
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}