Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e4380cc6cf0246a3de9bed633c0f3bcb",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 65.244,
"b": 119.366,
"c": 65.660,
"alpha": 90.00,
"beta": 93.61,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.270,2.100],
"number_observations": 68265,
"number_observations_unique": 27892,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 3335,
"number_observations_unique": 1663,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.544
},
{
"type": "R(pim)",
"value": 0.430
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 69.500
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.722
}
]
},
{
"resolution_limits": [37.270,8.910],
"number_observations": 945,
"number_observations_unique": 393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 31.200
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}