Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bd2217a24f4e86291e0cb83338dbc089",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.51,
"b": 67.81,
"c": 40.29,
"alpha": 90.00,
"beta": 93.69,
"gamma": 90.00
},
"wavelengths": [0.81532],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.43,1.09],
"number_observations_unique": 85244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 16.3
},
{
"type": "Completeness",
"value": 96.8
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.12,1.09],
"number_observations_unique": 6121,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.634
},
{
"type": "R(meas)",
"value": 0.688
},
{
"type": "R(pim)",
"value": 0.267
},
{
"type": "I/SigI",
"value": 2.7
},
{
"type": "Completeness",
"value": 94.4
},
{
"type": "Redundancy",
"value": 6.4
},
{
"type": "CC(1/2)",
"value": 0.845
}
]
}
]
}