Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "8d4b4d92494f5c86996484a68fa5f54f",
"space_group_name": "I 4 2 2",
"unit_cell": {
"a": 122.525,
"b": 122.525,
"c": 136.661,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97628],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.65,2.73],
"number_observations_unique": 14176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.381
},
{
"type": "R(meas)",
"value": 0.395
},
{
"type": "R(pim)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 7.4
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 26.7
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [53.65,9.05],
"number_observations_unique": 452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 18.1
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 23.6
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.86,2.73],
"number_observations_unique": 1846,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.667
},
{
"type": "R(meas)",
"value": 2.764
},
{
"type": "R(pim)",
"value": 0.726
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 27.6
},
{
"type": "CC(1/2)",
"value": 0.865
}
]
}
]
}