Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ef7ab2cf5de850fef6a2d41ccdb22deb",
"space_group_name": "I 21 3",
"unit_cell": {
"a": 171.613,
"b": 171.613,
"c": 171.613,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [85.810,2.790],
"number_observations": 347747,
"number_observations_unique": 21038,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "R(meas)",
"value": 0.225
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 16.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.940,2.790],
"number_observations": 44582,
"number_observations_unique": 2982,
"quality_factors": [
{
"type": "R(merge)",
"value": 6.447
},
{
"type": "R(meas)",
"value": 6.673
},
{
"type": "R(pim)",
"value": 1.686
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 15.000
},
{
"type": "CC(1/2)",
"value": 0.318
}
]
},
{
"resolution_limits": [85.810,8.820],
"number_observations": 12056,
"number_observations_unique": 728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 23.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 16.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}