Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "46f976881ee7138e23139143f0027126",
"space_group_name": "P 1",
"unit_cell": {
"a": 150.638,
"b": 150.983,
"c": 336.720,
"alpha": 92.34,
"beta": 92.62,
"gamma": 119.88
},
"wavelengths": [1.00040],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.640,5.500],
"number_observations": 153156,
"number_observations_unique": 79098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [5.610,5.500],
"number_observations": 8216,
"number_observations_unique": 4292,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.329
},
{
"type": "R(pim)",
"value": 1.205
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 88.700
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.166
}
]
},
{
"resolution_limits": [49.640,28.040],
"number_observations": 960,
"number_observations_unique": 504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 20.200
},
{
"type": "Completeness",
"value": 78.800
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}