Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f4c406e1714adbc9893a85f6db7d600a",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 67.964,
"b": 117.670,
"c": 143.665,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.520,2.980],
"number_observations": 155768,
"number_observations_unique": 12137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 17.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.160,2.980],
"number_observations": 26112,
"number_observations_unique": 1919,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.050
},
{
"type": "R(meas)",
"value": 1.091
},
{
"type": "R(pim)",
"value": 0.295
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.600
},
{
"type": "CC(1/2)",
"value": 0.813
}
]
},
{
"resolution_limits": [45.520,8.940],
"number_observations": 5334,
"number_observations_unique": 502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 55.300
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}