Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "caaeb69abe16e950e7a8e5134de7c772",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 95.594,
"b": 151.741,
"c": 176.606,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.600,1.950],
"number_observations": 691229,
"number_observations_unique": 183582,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.980,1.950],
"number_observations": 33466,
"number_observations_unique": 8905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.858
},
{
"type": "R(meas)",
"value": 0.997
},
{
"type": "R(pim)",
"value": 0.498
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.659
}
]
},
{
"resolution_limits": [47.600,10.680],
"number_observations": 4690,
"number_observations_unique": 1228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 43.300
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}