Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "4d59213900c0d28b9b78bf9eaa057fca",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 43.971,
"b": 102.127,
"c": 146.006,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03317],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.670,1.880],
"number_observations": 364575,
"number_observations_unique": 54517,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.920,1.880],
"number_observations": 24064,
"number_observations_unique": 3480,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.027
},
{
"type": "R(meas)",
"value": 2.191
},
{
"type": "R(pim)",
"value": 0.826
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.378
}
]
},
{
"resolution_limits": [48.670,9.020],
"number_observations": 3422,
"number_observations_unique": 589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 29.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}