Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "44c7198c224a661442aa84bf9947ef66",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.74,
"b": 45.73,
"c": 83.21,
"alpha": 90.00,
"beta": 102.11,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.680,2.640],
"number_observations": 43372,
"number_observations_unique": 13076,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "R(pim)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
"refln_shells": [
{
"resolution_limits": [2.710,2.640],
"number_observations": 3139,
"number_observations_unique": 971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.559
},
{
"type": "R(meas)",
"value": 0.675
},
{
"type": "R(pim)",
"value": 0.373
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.518
}
]
},
{
"resolution_limits": [40.680,11.810],
"number_observations": 542,
"number_observations_unique": 168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 26.000
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}