Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a94237b8e9451cca93c57f068cb4fe6c",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.419,
"b": 71.419,
"c": 150.678,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.410,1.250],
"number_observations": 1090029,
"number_observations_unique": 103638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 22.600
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 10.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.270,1.250],
"number_observations": 10259,
"number_observations_unique": 3446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.623
},
{
"type": "R(meas)",
"value": 0.744
},
{
"type": "R(pim)",
"value": 0.396
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 66.300
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.628
}
]
},
{
"resolution_limits": [29.410,6.850],
"number_observations": 8862,
"number_observations_unique": 794,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 63.700
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}