Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "79090d8973656d368d454174be379641",
"space_group_name": "P 1",
"unit_cell": {
"a": 43.513,
"b": 54.792,
"c": 92.224,
"alpha": 74.64,
"beta": 81.94,
"gamma": 89.98
},
"wavelengths": [1.54060],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [18.440,2.200],
"number_observations": 138507,
"number_observations_unique": 40974,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"number_observations": 8684,
"number_observations_unique": 3779,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.587
},
{
"type": "R(meas)",
"value": 0.760
},
{
"type": "R(pim)",
"value": 0.476
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.565
}
]
},
{
"resolution_limits": [18.440,8.800],
"number_observations": 1565,
"number_observations_unique": 525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 81.900
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}