Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "d195b0ad23989a2a1a8e247467ce9384",
"space_group_name": "P 1",
"unit_cell": {
"a": 43.230,
"b": 57.680,
"c": 67.606,
"alpha": 81.140,
"beta": 71.429,
"gamma": 77.108
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.76,1.40],
"number_observations_unique": 106776,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 14.1
},
{
"type": "Completeness",
"value": 90.2
},
{
"type": "Redundancy",
"value": 3.9
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [39.76,7.67],
"number_observations_unique": 692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 26.5
},
{
"type": "Completeness",
"value": 95.4
},
{
"type": "Redundancy",
"value": 3.6
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.42,1.40],
"number_observations_unique": 3936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.587
},
{
"type": "R(meas)",
"value": 0.829
},
{
"type": "R(pim)",
"value": 0.586
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Completeness",
"value": 66.9
},
{
"type": "Redundancy",
"value": 3.9
},
{
"type": "CC(1/2)",
"value": 0.754
}
]
}
]
}