Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9f6a35b5136b157417d60c46be17449c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.26,
"b": 57.35,
"c": 115.21,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.600,1.400],
"number_observations": 428705,
"number_observations_unique": 68391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.440,1.400],
"number_observations": 27151,
"number_observations_unique": 5025,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.502
},
{
"type": "R(meas)",
"value": 1.666
},
{
"type": "R(pim)",
"value": 0.709
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.483
}
]
},
{
"resolution_limits": [57.600,6.260],
"number_observations": 5389,
"number_observations_unique": 886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 55.500
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}