Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dd2c54b7dde760bccff0ae546848f16f",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 81.919,
"b": 96.683,
"c": 57.914,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.960,1.720],
"number_observations": 165261,
"number_observations_unique": 24903,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 20.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.750,1.720],
"number_observations": 7663,
"number_observations_unique": 1190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.871
},
{
"type": "R(meas)",
"value": 0.946
},
{
"type": "R(pim)",
"value": 0.367
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.839
}
]
},
{
"resolution_limits": [28.960,9.080],
"number_observations": 1185,
"number_observations_unique": 195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 59.100
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}