Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "eb1dd9af44de64d1d7da018a4cf3ca8d",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 94.603,
"b": 94.603,
"c": 32.744,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.930,2.000],
"number_observations": 218667,
"number_observations_unique": 11620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 22.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 13779,
"number_observations_unique": 875,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.469
},
{
"type": "R(meas)",
"value": 1.518
},
{
"type": "R(pim)",
"value": 0.380
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.700
},
{
"type": "CC(1/2)",
"value": 0.795
}
]
},
{
"resolution_limits": [81.930,8.950],
"number_observations": 2331,
"number_observations_unique": 153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 81.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 15.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}