Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "ef5a4f6b8b25db7695ed4eef1577a9c7",
"space_group_name": "P 4 21 2",
"unit_cell": {
"a": 124.083,
"b": 124.083,
"c": 126.932,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.87313],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [126.93,2.06],
"number_observations_unique": 61788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.361
},
{
"type": "R(meas)",
"value": 0.373
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 8.0
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 28.5
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [126.93,9.21],
"number_observations_unique": 827,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 25.5
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 23.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.11,2.06],
"number_observations_unique": 4522,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.992
},
{
"type": "R(meas)",
"value": 3.095
},
{
"type": "R(pim)",
"value": 0.789
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 29.7
},
{
"type": "CC(1/2)",
"value": 0.601
}
]
}
]
}