Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "33a56f8dceb71d89b485102b0b39e14d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 36.270,
"b": 127.690,
"c": 84.569,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.950,2.420],
"number_observations": 179142,
"number_observations_unique": 27280,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.520,2.420],
"number_observations": 18172,
"number_observations_unique": 2882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "R(pim)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 90.100
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [50.950,8.720],
"number_observations": 4627,
"number_observations_unique": 656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 23.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}