Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6d03dca0244a0e6d5b350c83b8b852ac",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 126.022,
"b": 126.022,
"c": 41.630,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.300,1.710],
"number_observations": 406009,
"number_observations_unique": 41414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 20.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.750,1.710],
"number_observations": 26263,
"number_observations_unique": 2958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.785
},
{
"type": "R(meas)",
"value": 0.833
},
{
"type": "R(pim)",
"value": 0.276
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 8.900
},
{
"type": "CC(1/2)",
"value": 0.802
}
]
},
{
"resolution_limits": [29.300,7.630],
"number_observations": 5028,
"number_observations_unique": 507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 66.000
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}