Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b64f72f440cff914e59ce2dfbf2f2533",
"space_group_name": "C 2 2 2",
"unit_cell": {
"a": 51.06,
"b": 154.90,
"c": 62.25,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.310,3.500],
"number_observations": 12411,
"number_observations_unique": 3332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.345
},
{
"type": "R(meas)",
"value": 0.406
},
{
"type": "R(pim)",
"value": 0.209
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.899
}
]
},
"refln_shells": [
{
"resolution_limits": [3.830,3.500],
"number_observations": 2668,
"number_observations_unique": 773,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.690
},
{
"type": "R(meas)",
"value": 2.034
},
{
"type": "R(pim)",
"value": 1.106
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.467
}
]
},
{
"resolution_limits": [36.310,8.570],
"number_observations": 986,
"number_observations_unique": 256,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}