Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a1849ee2bbd7654ee7adc2224dfbb0f5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 71.680,
"b": 84.676,
"c": 106.571,
"alpha": 90.000,
"beta": 108.349,
"gamma": 90.000
},
"wavelengths": [1.03322],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.56,1.67],
"number_observations_unique": 137992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 12.6
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [48.56,9.15],
"number_observations_unique": 892,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 47.1
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.70,1.67],
"number_observations_unique": 6796,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.473
},
{
"type": "R(meas)",
"value": 1.737
},
{
"type": "R(pim)",
"value": 0.911
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.528
}
]
}
]
}