Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "008e869f1e5b51e293d4bb27bfb63be4",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 147.565,
"b": 90.353,
"c": 86.518,
"alpha": 90.00,
"beta": 122.23,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [24.41,1.800],
"number_observations_unique": 89082,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.800],
"number_observations": 18339,
"number_observations_unique": 4417,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.033
},
{
"type": "R(meas)",
"value": 1.181
},
{
"type": "R(pim)",
"value": 0.565
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.562
}
]
},
{
"resolution_limits": [24.400,9.680],
"number_observations": 4198,
"number_observations_unique": 481,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 39.800
},
{
"type": "Completeness",
"value": 80.200
},
{
"type": "Redundancy",
"value": 8.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}