Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9eaa9ac90e73e61f53501c7e05b51bf1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.71,
"b": 52.16,
"c": 101.89,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.710,1.630],
"number_observations": 216893,
"number_observations_unique": 33869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 13.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.670,1.630],
"number_observations": 16023,
"number_observations_unique": 2465,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.920
},
{
"type": "R(meas)",
"value": 2.088
},
{
"type": "R(pim)",
"value": 0.813
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.448
}
]
},
{
"resolution_limits": [49.710,7.290],
"number_observations": 2614,
"number_observations_unique": 454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 53.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}