Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fc5aabf5b0c04a513e98727da02ceec0",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 68.15,
"b": 82.83,
"c": 36.50,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97850],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.150,1.700],
"number_observations": 155855,
"number_observations_unique": 23068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 8275,
"number_observations_unique": 1219,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.276
},
{
"type": "R(meas)",
"value": 0.298
},
{
"type": "R(pim)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [68.150,9.000],
"number_observations": 1207,
"number_observations_unique": 195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 24.100
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}