Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1faa27e5b38dbdcd8fab4e1a0eceea84",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 79.039,
"b": 79.039,
"c": 137.850,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54060],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.930,1.950],
"number_observations": 112343,
"number_observations_unique": 19205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 17.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,1.950],
"number_observations": 20292,
"number_observations_unique": 3832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.667
},
{
"type": "R(meas)",
"value": 0.738
},
{
"type": "R(pim)",
"value": 0.308
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.747
}
]
},
{
"resolution_limits": [68.930,5.170],
"number_observations": 6417,
"number_observations_unique": 1198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 50.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}