Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e0776d27aa490b06e1f325c88489c22d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 54.87,
"b": 104.25,
"c": 150.05,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.870,2.250],
"number_observations_unique": 39223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "R(meas)",
"value": 0.243
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
"refln_shells": [
{
"resolution_limits": [2.320,2.250],
"number_observations_unique": 3493,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.540
},
{
"type": "R(meas)",
"value": 1.677
},
{
"type": "R(pim)",
"value": 0.645
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.327
}
]
},
{
"resolution_limits": [54.870,9.000],
"number_observations_unique": 756,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}