Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e05cb27435e9c50c342b15bc7f85ec2f",
"space_group_name": "I 4",
"unit_cell": {
"a": 110.795,
"b": 110.795,
"c": 113.774,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.430,1.540],
"number_observations": 1428963,
"number_observations_unique": 101122,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.570,1.540],
"number_observations": 70876,
"number_observations_unique": 4977,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.790
},
{
"type": "R(meas)",
"value": 2.893
},
{
"type": "R(pim)",
"value": 0.763
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.200
},
{
"type": "CC(1/2)",
"value": 0.357
}
]
},
{
"resolution_limits": [45.430,8.440],
"number_observations": 8226,
"number_observations_unique": 633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 63.900
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}