Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7f5c3957005757cd1e729247fbed58f4",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 118.204,
"b": 64.343,
"c": 74.591,
"alpha": 90.00,
"beta": 125.78,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.950,1.990],
"number_observations": 128744,
"number_observations_unique": 31029,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,1.990],
"number_observations": 9109,
"number_observations_unique": 2228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.637
},
{
"type": "R(meas)",
"value": 0.732
},
{
"type": "R(pim)",
"value": 0.356
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.833
}
]
},
{
"resolution_limits": [47.950,8.910],
"number_observations": 1335,
"number_observations_unique": 363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 40.300
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}