Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "af4a1b58e294cf1f9b3bb0f325d75b1f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 149.53,
"b": 97.91,
"c": 92.30,
"alpha": 90.00,
"beta": 123.57,
"gamma": 90.00
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [76.980,2.830],
"number_observations": 115703,
"number_observations_unique": 25711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.980,2.830],
"number_observations": 16876,
"number_observations_unique": 3775,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.688
},
{
"type": "R(meas)",
"value": 1.916
},
{
"type": "R(pim)",
"value": 0.885
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.388
}
]
},
{
"resolution_limits": [76.980,8.950],
"number_observations": 3656,
"number_observations_unique": 845,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 29.200
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}