Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e594d63647e2d80755b435532ae6a28b",
"space_group_name": "P 21 3",
"unit_cell": {
"a": 105.66,
"b": 105.66,
"c": 105.66,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.250,1.560],
"number_observations": 1109946,
"number_observations_unique": 56066,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 20.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.600,1.560],
"number_observations": 84914,
"number_observations_unique": 4133,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.359
},
{
"type": "R(meas)",
"value": 2.419
},
{
"type": "R(pim)",
"value": 0.533
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.500
},
{
"type": "CC(1/2)",
"value": 0.546
}
]
},
{
"resolution_limits": [47.250,6.980],
"number_observations": 12971,
"number_observations_unique": 701,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 64.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 18.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}