Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "25bf143f6227e84dfe476b8e4fbce1b9",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 133.82,
"b": 75.05,
"c": 92.46,
"alpha": 90.00,
"beta": 113.27,
"gamma": 90.00
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.73,2.340],
"number_observations_unique": 26752,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 15.24
},
{
"type": "Completeness",
"value": 74.99
},
{
"type": "Redundancy",
"value": 6.95
},
{
"type": "CC(1/2)",
"value": 0.9984
}
]
},
"refln_shells": [
{
"resolution_limits": [2.446,2.340],
"number_observations_unique": 1338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.450
},
{
"type": "R(meas)",
"value": 0.485
},
{
"type": "R(pim)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 4.799
},
{
"type": "Completeness",
"value": 30.34
},
{
"type": "Redundancy",
"value": 7.14
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [46.73,2.340],
"number_observations_unique": 2698,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.139
},
{
"type": "R(meas)",
"value": 2.315
},
{
"type": "I/SigI",
"value": 1.13
},
{
"type": "Completeness",
"value": 97.5
},
{
"type": "CC(1/2)",
"value": 0.716
}
]
}
]
}