Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2820e81647f62b1e2fa555d949dde3ae",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 27.853,
"b": 48.827,
"c": 141.586,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.90000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [141.590,1.700],
"number_observations": 250275,
"number_observations_unique": 21730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 6248,
"number_observations_unique": 919,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.275
},
{
"type": "R(meas)",
"value": 2.470
},
{
"type": "R(pim)",
"value": 0.929
},
{
"type": "I/SigI",
"value": 0.200
},
{
"type": "Completeness",
"value": 80.600
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.677
}
]
},
{
"resolution_limits": [141.590,9.000],
"number_observations": 1957,
"number_observations_unique": 204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 114.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}