Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "88ffb5ddbe2dca2df8c4dd14c906d12f",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 68.224,
"b": 94.121,
"c": 117.159,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.880,1.250],
"number_observations": 1330026,
"number_observations_unique": 103477,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 18.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.270,1.250],
"number_observations": 64412,
"number_observations_unique": 5069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.551
},
{
"type": "R(meas)",
"value": 0.575
},
{
"type": "R(pim)",
"value": 0.161
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [19.880,6.850],
"number_observations": 8591,
"number_observations_unique": 681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 39.300
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}