Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "213377f0287a863eeaa2644159796393",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.784,
"b": 45.426,
"c": 83.508,
"alpha": 90.00,
"beta": 102.05,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.510,1.550],
"number_observations": 232297,
"number_observations_unique": 67169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.550],
"number_observations": 16253,
"number_observations_unique": 4839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.813
},
{
"type": "R(meas)",
"value": 0.969
},
{
"type": "R(pim)",
"value": 0.520
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.539
}
]
},
{
"resolution_limits": [28.510,6.930],
"number_observations": 2794,
"number_observations_unique": 807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 29.600
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}