Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3f85fb1f60cb5c0a5fc1c538719f6545",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 142.208,
"b": 147.540,
"c": 149.306,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.230,1.760],
"number_observations": 2325718,
"number_observations_unique": 307221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.790,1.760],
"number_observations": 109819,
"number_observations_unique": 14749,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.016
},
{
"type": "R(meas)",
"value": 2.164
},
{
"type": "R(pim)",
"value": 0.783
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.521
}
]
},
{
"resolution_limits": [49.230,9.640],
"number_observations": 14033,
"number_observations_unique": 2091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 28.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}