Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ec9a8502f57ae3d61446ff8c14391543",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 50.282,
"b": 50.282,
"c": 135.005,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.77114],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.619,1.950],
"number_observations_unique": 8016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "R(meas)",
"value": 0.228
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 24.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 140.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 54212,
"number_observations_unique": 527,
"quality_factors": [
{
"type": "R(merge)",
"value": 7.639
},
{
"type": "R(meas)",
"value": 7.676
},
{
"type": "R(pim)",
"value": 0.744
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 102.900
},
{
"type": "CC(1/2)",
"value": 0.700
}
]
},
{
"resolution_limits": [36.590,8.930],
"number_observations": 13977,
"number_observations_unique": 123,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 63.100
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 113.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}