Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "665cb3cb59da0e45fb63f535df443f41",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 83.16,
"b": 81.63,
"c": 48.01,
"alpha": 90.00,
"beta": 104.06,
"gamma": 90.00
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.570,1.590],
"number_observations": 106204,
"number_observations_unique": 38701,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.590],
"number_observations": 6733,
"number_observations_unique": 2649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.453
},
{
"type": "R(meas)",
"value": 0.564
},
{
"type": "R(pim)",
"value": 0.331
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 85.800
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.787
}
]
},
{
"resolution_limits": [46.570,7.110],
"number_observations": 1250,
"number_observations_unique": 479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 29.400
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}