Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "528b8cc7fc9ef0188dec2f6c2e63f3aa",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.420,
"b": 68.934,
"c": 57.182,
"alpha": 90.00,
"beta": 92.32,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.150,1.630],
"number_observations": 166441,
"number_observations_unique": 51731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "R(pim)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
"refln_shells": [
{
"resolution_limits": [1.670,1.630],
"number_observations": 10028,
"number_observations_unique": 3805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.968
},
{
"type": "R(meas)",
"value": 1.223
},
{
"type": "R(pim)",
"value": 0.740
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.296
}
]
},
{
"resolution_limits": [57.150,7.290],
"number_observations": 2023,
"number_observations_unique": 619,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.883
}
]
}
]
}