Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f4ba87ec10ca083970da7ed6662ccae1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 65.08,
"b": 58.52,
"c": 102.64,
"alpha": 90.00,
"beta": 92.75,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.190,1.700],
"number_observations_unique": 83006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 18135,
"number_observations_unique": 4230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.332
},
{
"type": "R(meas)",
"value": 0.379
},
{
"type": "R(pim)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.888
}
]
},
{
"resolution_limits": [56.130,9.000],
"number_observations": 2674,
"number_observations_unique": 622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
}
]
}