Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "6edbf39b086f13e5a7f80c7da7e4e427",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 86.098,
"b": 86.098,
"c": 71.294,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.87313],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.05,2.309],
"number_observations_unique": 13770,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 14.9
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.6
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [43.05,6.261],
"number_observations_unique": 753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 45.3
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 17.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.349,2.309],
"number_observations_unique": 679,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.716
},
{
"type": "R(meas)",
"value": 1.773
},
{
"type": "R(pim)",
"value": 0.443
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 16.0
},
{
"type": "CC(1/2)",
"value": 0.520
}
]
}
]
}