Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8f3e22e8790d513a3f219532fb387467",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 57.78,
"b": 65.80,
"c": 108.95,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000,2.28000,6.19000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.42,1.25],
"number_observations_unique": 115388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 15.0
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.4
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.27,1.25],
"number_observations_unique": 5667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.886
},
{
"type": "R(pim)",
"value": 0.380
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.4
},
{
"type": "CC(1/2)",
"value": 0.794
}
]
},
{
"resolution_limits": [1.86,1.80],
"number_observations_unique": 3825,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.174
},
{
"type": "R(pim)",
"value": 0.507
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 98.0
},
{
"type": "Redundancy",
"value": 5.9
},
{
"type": "CC(1/2)",
"value": 0.411
}
]
}
]
}