Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d1960e741a3f1abce02cac640ca0b42d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 46.90,
"b": 60.29,
"c": 57.40,
"alpha": 90.00,
"beta": 98.93,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.740,1.930],
"number_observations": 158911,
"number_observations_unique": 23875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.980,1.930],
"number_observations": 10593,
"number_observations_unique": 1765,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.520
},
{
"type": "R(meas)",
"value": 1.665
},
{
"type": "R(pim)",
"value": 0.674
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.566
}
]
},
{
"resolution_limits": [36.740,8.630],
"number_observations": 1709,
"number_observations_unique": 285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 41.700
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}