Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5242ca3fbc22f0747e3c725234b5a4b1",
"space_group_name": "P 64 2 2",
"unit_cell": {
"a": 104.437,
"b": 104.437,
"c": 67.661,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.26,2.000],
"number_observations_unique": 15158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 40.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 36.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 37430,
"number_observations_unique": 1092,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.629
},
{
"type": "R(meas)",
"value": 0.638
},
{
"type": "R(pim)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 34.300
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [45.220,8.960],
"number_observations": 5776,
"number_observations_unique": 222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 90.400
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 26.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}