Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "da7e9d84638b432d407d8b40984bf42e",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 39.62,
"b": 53.35,
"c": 215.84,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.960,2.830],
"number_observations": 71394,
"number_observations_unique": 10445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "R(meas)",
"value": 0.216
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 89.300
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.980,2.830],
"number_observations": 9826,
"number_observations_unique": 1447,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.158
},
{
"type": "R(meas)",
"value": 1.252
},
{
"type": "R(pim)",
"value": 0.466
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 87.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.640
}
]
},
{
"resolution_limits": [53.960,8.940],
"number_observations": 3587,
"number_observations_unique": 450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 21.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}