Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "017adcf27f7350d18c8e3f08f0ef46dd",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 83.30,
"b": 83.30,
"c": 133.08,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.790,2.370],
"number_observations": 445316,
"number_observations_unique": 22321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 19.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.430,2.370],
"number_observations": 34107,
"number_observations_unique": 1614,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.756
},
{
"type": "R(meas)",
"value": 1.799
},
{
"type": "R(pim)",
"value": 0.389
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.100
},
{
"type": "CC(1/2)",
"value": 0.834
}
]
},
{
"resolution_limits": [37.790,10.600],
"number_observations": 3739,
"number_observations_unique": 293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 47.600
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}