Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "85f4adfdf8c3068c8b61fd732a0cad3a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.394,
"b": 52.591,
"c": 44.385,
"alpha": 90.00,
"beta": 103.04,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.840,1.880],
"number_observations": 72571,
"number_observations_unique": 20626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "R(meas)",
"value": 0.248
},
{
"type": "R(pim)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.880],
"number_observations": 4538,
"number_observations_unique": 1339,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.515
},
{
"type": "R(meas)",
"value": 1.822
},
{
"type": "R(pim)",
"value": 0.987
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.231
}
]
},
{
"resolution_limits": [54.840,8.830],
"number_observations": 821,
"number_observations_unique": 217,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}