Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9c6fe2caf52d16e8d4a44b02b88116b3",
"space_group_name": "P 2 3",
"unit_cell": {
"a": 181.44,
"b": 181.44,
"c": 181.44,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.540,2.000],
"number_observations_unique": 132696,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 43.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 20.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,2.000],
"number_observations": 131455,
"number_observations_unique": 6497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 20.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [48.410,10.960],
"number_observations": 16598,
"number_observations_unique": 891,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 61.300
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 18.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}