Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b31721a6c2ef7260a1933335ffa9aebe",
"space_group_name": "C 2 2 2",
"unit_cell": {
"a": 62.841,
"b": 152.310,
"c": 76.792,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [76.780,1.850],
"number_observations": 398455,
"number_observations_unique": 31900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 24.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.850],
"number_observations": 26753,
"number_observations_unique": 2329,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.259
},
{
"type": "R(meas)",
"value": 1.317
},
{
"type": "R(pim)",
"value": 0.386
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.803
}
]
},
{
"resolution_limits": [76.780,8.270],
"number_observations": 4860,
"number_observations_unique": 409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 89.500
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}