Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "36fbe0a3a8cf8daab0c0e57dbf7f1067",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 32.016,
"b": 61.191,
"c": 105.668,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88560],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.990,1.600],
"number_observations": 119169,
"number_observations_unique": 27495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 5597,
"number_observations_unique": 1321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.589
},
{
"type": "R(meas)",
"value": 0.675
},
{
"type": "R(pim)",
"value": 0.323
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.748
}
]
},
{
"resolution_limits": [39.990,8.760],
"number_observations": 712,
"number_observations_unique": 203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 29.700
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}