Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "df72ef61e4bd37b6580115c1edf60e6c",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 94.950,
"b": 94.950,
"c": 32.355,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [82.230,2.300],
"number_observations": 72102,
"number_observations_unique": 7300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "R(meas)",
"value": 0.228
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 7687,
"number_observations_unique": 726,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.555
},
{
"type": "R(meas)",
"value": 1.634
},
{
"type": "R(pim)",
"value": 0.497
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 0.760
}
]
},
{
"resolution_limits": [82.230,8.910],
"number_observations": 1423,
"number_observations_unique": 154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 24.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}