Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d2a2f7c00af0ee99b25888f9e8a2cf37",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.319,
"b": 71.319,
"c": 150.178,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.360,1.650],
"number_observations": 562353,
"number_observations_unique": 47556,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 23.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.670,1.650],
"number_observations": 18733,
"number_observations_unique": 2061,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.853
},
{
"type": "R(meas)",
"value": 0.902
},
{
"type": "R(pim)",
"value": 0.286
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 90.100
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.774
}
]
},
{
"resolution_limits": [29.360,9.020],
"number_observations": 4027,
"number_observations_unique": 359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 100.000
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}