Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f2073f8e53dbb252d12168ac1f260486",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 123.960,
"b": 123.960,
"c": 40.911,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.770,1.570],
"number_observations": 565091,
"number_observations_unique": 50248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 26.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.570],
"number_observations": 40431,
"number_observations_unique": 3579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.789
},
{
"type": "R(meas)",
"value": 0.827
},
{
"type": "R(pim)",
"value": 0.244
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.886
}
]
},
{
"resolution_limits": [29.770,7.030],
"number_observations": 6772,
"number_observations_unique": 609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 70.900
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}