Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9bc4e20813a9beb853d35804d4c0c898",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 87.516,
"b": 106.128,
"c": 207.106,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.590,2.300],
"number_observations": 583582,
"number_observations_unique": 86315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 17.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.340,2.300],
"number_observations": 31075,
"number_observations_unique": 4500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.995
},
{
"type": "R(pim)",
"value": 0.406
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.742
}
]
},
{
"resolution_limits": [38.590,12.170],
"number_observations": 4161,
"number_observations_unique": 663,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 57.800
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}