Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6e38d32da57eae571a2648b12a21a112",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 51.64,
"b": 114.21,
"c": 180.67,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.100,1.630],
"number_observations": 218692,
"number_observations_unique": 66036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.630],
"number_observations": 11379,
"number_observations_unique": 3279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.617
},
{
"type": "R(meas)",
"value": 0.725
},
{
"type": "R(pim)",
"value": 0.375
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.745
}
]
},
{
"resolution_limits": [57.100,8.930],
"number_observations": 718,
"number_observations_unique": 367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 25.200
},
{
"type": "Completeness",
"value": 81.200
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
}
]
}