Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bd90d191b348ef653ab6098fbd875aac",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.46,
"b": 45.34,
"c": 83.06,
"alpha": 90.00,
"beta": 102.35,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.600,1.780],
"number_observations": 148845,
"number_observations_unique": 43873,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.780],
"number_observations": 11200,
"number_observations_unique": 3221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.711
},
{
"type": "R(meas)",
"value": 0.843
},
{
"type": "R(pim)",
"value": 0.448
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.594
}
]
},
{
"resolution_limits": [42.600,7.960],
"number_observations": 1846,
"number_observations_unique": 544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 45.800
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}