Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "04d79b5f9c8ade4fddc5a8c5f1d35260",
"space_group_name": "I 21 3",
"unit_cell": {
"a": 88.41,
"b": 88.41,
"c": 88.41,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.48000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.260,1.800],
"number_observations": 113653,
"number_observations_unique": 10827,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 15.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 6595,
"number_observations_unique": 641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.814
},
{
"type": "R(meas)",
"value": 0.857
},
{
"type": "R(pim)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.300
},
{
"type": "CC(1/2)",
"value": 0.908
}
]
},
{
"resolution_limits": [31.260,9.000],
"number_observations": 927,
"number_observations_unique": 100,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 24.900
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}