Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "9f17dd331482b14e8837f1c9f57a2941",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.668,
"b": 88.668,
"c": 39.583,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.330,1.010],
"number_observations": 1047605,
"number_observations_unique": 159900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 18.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.030,1.010],
"number_observations": 48442,
"number_observations_unique": 7784,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.349
},
{
"type": "R(meas)",
"value": 1.473
},
{
"type": "R(pim)",
"value": 0.581
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.717
}
]
},
{
"resolution_limits": [44.330,5.530],
"number_observations": 7496,
"number_observations_unique": 1065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 75.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}