Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "07f4568676009706346da50c9fe9136e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.543,
"b": 45.290,
"c": 83.110,
"alpha": 90.00,
"beta": 102.48,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.340,1.620],
"number_observations": 200795,
"number_observations_unique": 56953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.620],
"number_observations": 14496,
"number_observations_unique": 4066,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.752
},
{
"type": "R(meas)",
"value": 0.884
},
{
"type": "R(pim)",
"value": 0.460
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.623
}
]
},
{
"resolution_limits": [28.340,7.240],
"number_observations": 2423,
"number_observations_unique": 684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 48.800
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}