Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d0c4a2758b71bcad4c9a6574d84a35bd",
"space_group_name": "P 1",
"unit_cell": {
"a": 71.225,
"b": 92.571,
"c": 113.940,
"alpha": 72.87,
"beta": 79.05,
"gamma": 67.87
},
"wavelengths": [0.94290],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.050,2.500],
"number_observations": 301916,
"number_observations_unique": 87250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.540,2.500],
"number_observations": 15646,
"number_observations_unique": 4471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.577
},
{
"type": "R(meas)",
"value": 0.683
},
{
"type": "R(pim)",
"value": 0.360
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.812
}
]
},
{
"resolution_limits": [49.050,13.460],
"number_observations": 1509,
"number_observations_unique": 515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 32.400
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}