Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2f7f2b342bc917902d81eb4a77c8018f",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 29.948,
"b": 37.553,
"c": 110.959,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.570,1.500],
"number_observations": 94421,
"number_observations_unique": 19998,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 3435,
"number_observations_unique": 776,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.422
},
{
"type": "R(meas)",
"value": 1.601
},
{
"type": "R(pim)",
"value": 0.715
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 80.600
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.539
}
]
},
{
"resolution_limits": [35.570,8.230],
"number_observations": 617,
"number_observations_unique": 138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 62.000
},
{
"type": "Completeness",
"value": 90.100
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}