Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1094eb4d36a5e7c6c7412a2de96b3fa7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 75.979,
"b": 59.822,
"c": 101.773,
"alpha": 90.00,
"beta": 94.55,
"gamma": 90.00
},
"wavelengths": [1.54178],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.950,2.200],
"number_observations_unique": 46303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"number_observations_unique": 3952,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.991
},
{
"type": "R(meas)",
"value": 1.141
},
{
"type": "R(pim)",
"value": 0.559
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.681
}
]
},
{
"resolution_limits": [46.950,9.070],
"number_observations_unique": 702,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
}
]
}