Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "82185fc7e7e14cf82629352061a0a72a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 73.652,
"b": 79.108,
"c": 86.318,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [86.320,1.660],
"number_observations": 456803,
"number_observations_unique": 60583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.750,1.660],
"number_observations_unique": 8747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.918
},
{
"type": "R(meas)",
"value": 0.985
},
{
"type": "R(pim)",
"value": 0.353
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.782
}
]
},
{
"resolution_limits": [86.320,5.240],
"number_observations_unique": 2102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}