Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "5815e53104309a552e827c0df2147011",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 82.62,
"b": 82.62,
"c": 135.06,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.500,2.190],
"number_observations": 561452,
"number_observations_unique": 28146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 19.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.250,2.190],
"number_observations": 38719,
"number_observations_unique": 2057,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.889
},
{
"type": "R(meas)",
"value": 1.942
},
{
"type": "R(pim)",
"value": 0.445
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.800
},
{
"type": "CC(1/2)",
"value": 0.719
}
]
},
{
"resolution_limits": [39.500,9.790],
"number_observations": 5199,
"number_observations_unique": 367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 54.600
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 14.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}