Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "afdc03527778058c0b276945819265eb",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 79.205,
"b": 79.205,
"c": 137.910,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97959],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.96,1.35],
"number_observations_unique": 56615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 22.9
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 19.8
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [68.96,7.39],
"number_observations_unique": 438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "Redundancy",
"value": 16.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.37,1.35],
"number_observations_unique": 2667,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.900
},
{
"type": "R(meas)",
"value": 4.317
},
{
"type": "R(pim)",
"value": 1.813
},
{
"type": "Redundancy",
"value": 10.3
},
{
"type": "CC(1/2)",
"value": 0.204
}
]
},
{
"resolution_limits": [68.96,7.39],
"number_observations_unique": 438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "Redundancy",
"value": 16.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.37,1.35],
"number_observations_unique": 2667,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.900
},
{
"type": "R(meas)",
"value": 4.317
},
{
"type": "R(pim)",
"value": 1.813
},
{
"type": "Redundancy",
"value": 10.3
},
{
"type": "CC(1/2)",
"value": 0.204
}
]
}
]
}