Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1549f199b447b68b9bcae7deab2e6d73",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.995,
"b": 52.847,
"c": 44.741,
"alpha": 90.00,
"beta": 102.86,
"gamma": 90.00
},
"wavelengths": [1.36848],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.080,1.460],
"number_observations": 142926,
"number_observations_unique": 42249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.460],
"number_observations": 19535,
"number_observations_unique": 5935,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.461
},
{
"type": "R(meas)",
"value": 0.550
},
{
"type": "R(pim)",
"value": 0.298
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.833
}
]
},
{
"resolution_limits": [55.080,4.620],
"number_observations": 5114,
"number_observations_unique": 1451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 30.300
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}