Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2c8ec332a63f158149c340dc313b3e71",
"space_group_name": "P 1",
"unit_cell": {
"a": 36.533,
"b": 39.875,
"c": 105.151,
"alpha": 83.97,
"beta": 85.70,
"gamma": 62.75
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.340,2.050],
"number_observations": 69361,
"number_observations_unique": 31675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.050],
"number_observations": 5524,
"number_observations_unique": 2520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.663
},
{
"type": "R(meas)",
"value": 0.895
},
{
"type": "R(pim)",
"value": 0.597
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.495
}
]
},
{
"resolution_limits": [35.340,8.940],
"number_observations": 803,
"number_observations_unique": 366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 30.400
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}