Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0edea61d39b6a412c174a7fc6ff50f4d",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 56.31,
"b": 56.31,
"c": 254.60,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [127.30,1.74],
"number_observations_unique": 43582,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 27.2
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 26.0
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [127.30,9.04],
"number_observations_unique": 422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "Redundancy",
"value": 18.4
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.77,1.74],
"number_observations_unique": 2365,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.019
},
{
"type": "R(meas)",
"value": 2.092
},
{
"type": "R(pim)",
"value": 0.545
},
{
"type": "Redundancy",
"value": 27.5
},
{
"type": "CC(1/2)",
"value": 0.843
}
]
}
]
}