Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2caf41bb11a1bcfedbf04fe8f7c5b21a",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 78.753,
"b": 78.753,
"c": 36.812,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.77120],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.38,1.790],
"number_observations_unique": 11383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 24.900
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 19.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.820,1.790],
"number_observations": 4371,
"number_observations_unique": 502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.452
},
{
"type": "R(meas)",
"value": 0.478
},
{
"type": "R(pim)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 78.600
},
{
"type": "Redundancy",
"value": 8.700
},
{
"type": "CC(1/2)",
"value": 0.881
}
]
},
{
"resolution_limits": [39.380,9.100],
"number_observations": 2194,
"number_observations_unique": 119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 47.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 18.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}