Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0cec875f70c1697ed8cdcdaea9965c16",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.25,
"b": 81.49,
"c": 110.14,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.630,1.920],
"number_observations": 264095,
"number_observations_unique": 35895,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.920],
"number_observations": 20022,
"number_observations_unique": 2624,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.454
},
{
"type": "R(pim)",
"value": 0.563
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.745
}
]
},
{
"resolution_limits": [45.630,8.590],
"number_observations": 3189,
"number_observations_unique": 473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 30.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}