Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "75bbc4ee85d021818c41b9ddbf8d500f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.177,
"b": 57.153,
"c": 115.384,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.180,1.310],
"number_observations": 484933,
"number_observations_unique": 83691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.340,1.310],
"number_observations": 23941,
"number_observations_unique": 5973,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.056
},
{
"type": "R(meas)",
"value": 1.218
},
{
"type": "R(pim)",
"value": 0.595
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.622
}
]
},
{
"resolution_limits": [52.180,5.860],
"number_observations": 6287,
"number_observations_unique": 1083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 38.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}