Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "516931f4a5ef515643af3028e4a6d337",
"space_group_name": "P 31",
"unit_cell": {
"a": 82.302,
"b": 82.302,
"c": 415.980,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97960],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [138.660,3.178],
"number_observations": 472238,
"number_observations_unique": 46649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.367
},
{
"type": "R(meas)",
"value": 0.389
},
{
"type": "R(pim)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
"refln_shells": [
{
"resolution_limits": [3.369,3.178],
"number_observations": 25453,
"number_observations_unique": 2331,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.127
},
{
"type": "R(meas)",
"value": 2.232
},
{
"type": "R(pim)",
"value": 0.675
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 34.700
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 0.411
}
]
},
{
"resolution_limits": [138.660,8.982],
"number_observations": 22562,
"number_observations_unique": 2332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 27.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}