Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "27c5b69e8828cc37da7d141f1d33933f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.205,
"b": 49.200,
"c": 114.858,
"alpha": 90.00,
"beta": 95.24,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.170,1.870],
"number_observations": 513339,
"number_observations_unique": 74374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.910,1.870],
"number_observations": 31353,
"number_observations_unique": 4458,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.900
},
{
"type": "R(meas)",
"value": 3.131
},
{
"type": "R(pim)",
"value": 1.173
},
{
"type": "I/SigI",
"value": 0.200
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.408
}
]
},
{
"resolution_limits": [57.170,9.150],
"number_observations": 4658,
"number_observations_unique": 707,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 59.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}