Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "01427af912eea97ed9d51477368af10b",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 49.220,
"b": 114.728,
"c": 164.878,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.6950,1.769],
"number_observations_unique": 46058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.769],
"number_observations": 19288,
"number_observations_unique": 2491,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.240
},
{
"type": "R(meas)",
"value": 4.522
},
{
"type": "R(pim)",
"value": 1.522
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.584
}
]
},
{
"resolution_limits": [39.690,9.020],
"number_observations": 4572,
"number_observations_unique": 410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 48.000
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}