Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e383fd645db1419dfd1cd36f72b85cfe",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 26.087,
"b": 47.108,
"c": 46.606,
"alpha": 90.00,
"beta": 103.19,
"gamma": 90.00
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.110,1.560],
"number_observations": 48259,
"number_observations_unique": 15519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 18.900
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.560],
"number_observations": 1737,
"number_observations_unique": 683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "R(meas)",
"value": 0.267
},
{
"type": "R(pim)",
"value": 0.157
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 88.700
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [47.110,8.550],
"number_observations": 343,
"number_observations_unique": 105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.014
},
{
"type": "R(meas)",
"value": 0.017
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 43.100
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}