Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3d53cdbecc9604ebf95fe3508c6eb9b6",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 64.433,
"b": 118.814,
"c": 65.975,
"alpha": 90.00,
"beta": 92.39,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.950,2.200],
"number_observations": 66337,
"number_observations_unique": 24799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 18.000
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"number_observations": 4517,
"number_observations_unique": 2066,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.374
},
{
"type": "R(pim)",
"value": 0.282
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.864
}
]
},
{
"resolution_limits": [28.950,9.070],
"number_observations": 853,
"number_observations_unique": 318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.012
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 81.100
},
{
"type": "Completeness",
"value": 85.800
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}