Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "13a26c291adeb594a3f47d81d4ec1c30",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 90.182,
"b": 119.174,
"c": 94.341,
"alpha": 90.00,
"beta": 91.36,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.980,2.200],
"number_observations": 101869,
"number_observations_unique": 49246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"number_observations": 6979,
"number_observations_unique": 3909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.500
},
{
"type": "R(pim)",
"value": 0.440
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 89.800
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.673
}
]
},
{
"resolution_limits": [32.980,9.070],
"number_observations": 1408,
"number_observations_unique": 643,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 37.200
},
{
"type": "Completeness",
"value": 86.200
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}