Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "30a50f54df14cffcc5f5ada9a11b8df2",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.159,
"b": 95.159,
"c": 45.726,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.280,1.200],
"number_observations": 581454,
"number_observations_unique": 59941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 18.900
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.220,1.200],
"number_observations": 2766,
"number_observations_unique": 1727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.851
},
{
"type": "R(meas)",
"value": 1.147
},
{
"type": "R(pim)",
"value": 0.762
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 52.200
},
{
"type": "Redundancy",
"value": 1.600
},
{
"type": "CC(1/2)",
"value": 0.359
}
]
},
{
"resolution_limits": [67.280,6.350],
"number_observations": 5901,
"number_observations_unique": 465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 93.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}