Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3c4304bf5905aa1d476e93031aaa4e82",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 67.227,
"b": 131.648,
"c": 66.173,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.20,1.280],
"number_observations_unique": 148582,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.300,1.280],
"number_observations": 17690,
"number_observations_unique": 6257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.652
},
{
"type": "R(meas)",
"value": 0.791
},
{
"type": "R(pim)",
"value": 0.438
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 84.800
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.591
}
]
},
{
"resolution_limits": [47.160,7.020],
"number_observations": 3647,
"number_observations_unique": 1008,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 25.600
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}