Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "594d839f60871c6a4c360e0e24d83f40",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.51,
"b": 52.19,
"c": 101.55,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.420,1.870],
"number_observations": 125729,
"number_observations_unique": 21877,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.920,1.870],
"number_observations": 8058,
"number_observations_unique": 1498,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.491
},
{
"type": "R(meas)",
"value": 1.639
},
{
"type": "R(pim)",
"value": 0.663
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.500
}
]
},
{
"resolution_limits": [46.420,8.360],
"number_observations": 1717,
"number_observations_unique": 305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 45.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}