Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d304f69172c72fa12f358d2d18de4ce2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 63.661,
"b": 78.924,
"c": 112.992,
"alpha": 90.00,
"beta": 94.89,
"gamma": 90.00
},
"wavelengths": [0.91590],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [112.580,2.000],
"number_observations": 301514,
"number_observations_unique": 75378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(meas)",
"value": 0.188
},
{
"type": "R(pim)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.956
}
]
},
"refln_shells": [
{
"resolution_limits": [2.040,2.000],
"number_observations": 18424,
"number_observations_unique": 4420,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.576
},
{
"type": "R(meas)",
"value": 0.660
},
{
"type": "R(pim)",
"value": 0.318
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.848
}
]
},
{
"resolution_limits": [112.580,10.000],
"number_observations": 2796,
"number_observations_unique": 653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}