Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a6ec5039d10da061b39ce2817e6bea35",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 86.432,
"b": 56.984,
"c": 64.746,
"alpha": 90.00,
"beta": 94.74,
"gamma": 90.00
},
"wavelengths": [0.92208],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.26,1.31],
"number_observations": 423821,
"number_observations_unique": 73433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 10.5
},
{
"type": "Completeness",
"value": 97.5
},
{
"type": "Redundancy",
"value": 5.8
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.33,1.31],
"number_observations": 7374,
"number_observations_unique": 2741,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.245
},
{
"type": "R(meas)",
"value": 1.562
},
{
"type": "R(pim)",
"value": 0.919
},
{
"type": "I/SigI",
"value": 0.3
},
{
"type": "Redundancy",
"value": 2.7
},
{
"type": "CC(1/2)",
"value": 0.334
}
]
}
]
}