Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5b8ca43d580b9f3fa4bd0406142d776b",
"space_group_name": "P 1",
"unit_cell": {
"a": 44.300,
"b": 45.635,
"c": 46.844,
"alpha": 94.12,
"beta": 117.04,
"gamma": 117.20
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.040,1.500],
"number_observations": 143079,
"number_observations_unique": 40510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.500],
"number_observations": 21138,
"number_observations_unique": 5914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.480
},
{
"type": "R(meas)",
"value": 0.565
},
{
"type": "R(pim)",
"value": 0.296
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.882
}
]
},
{
"resolution_limits": [39.040,4.760],
"number_observations": 4501,
"number_observations_unique": 1292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 37.200
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}