Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "29f9b9bfa60cd70b6d9aa2f00c1b28b6",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.800,
"b": 88.800,
"c": 39.467,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.400,1.010],
"number_observations": 1020711,
"number_observations_unique": 160608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.030,1.010],
"number_observations": 38197,
"number_observations_unique": 7565,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.291
},
{
"type": "R(meas)",
"value": 1.444
},
{
"type": "R(pim)",
"value": 0.626
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.488
}
]
},
{
"resolution_limits": [44.400,5.530],
"number_observations": 7227,
"number_observations_unique": 1068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 39.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}