Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b06f5f65730507c7cc86614a83483ace",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 195.080,
"b": 195.080,
"c": 195.064,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [168.940,2.720],
"number_observations": 2388880,
"number_observations_unique": 114438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.870,2.720],
"number_observations": 323556,
"number_observations_unique": 16607,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.378
},
{
"type": "R(meas)",
"value": 1.415
},
{
"type": "R(pim)",
"value": 0.318
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.500
},
{
"type": "CC(1/2)",
"value": 0.860
}
]
},
{
"resolution_limits": [168.940,8.620],
"number_observations": 79121,
"number_observations_unique": 3868,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 50.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}