Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "f9cb26c4a51acd3fac408a113de0a705",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 82.68,
"b": 82.68,
"c": 134.53,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.520,2.080],
"number_observations": 653065,
"number_observations_unique": 32647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 27.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 20.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.130,2.080],
"number_observations": 49348,
"number_observations_unique": 2377,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.659
},
{
"type": "R(meas)",
"value": 1.701
},
{
"type": "R(pim)",
"value": 0.372
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 20.800
},
{
"type": "CC(1/2)",
"value": 0.877
}
]
},
{
"resolution_limits": [39.520,9.300],
"number_observations": 6133,
"number_observations_unique": 424,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "I/SigI",
"value": 81.500
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 14.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}