Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4db8190704450a27cee1988f99b4110a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 79.83,
"b": 82.85,
"c": 221.21,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.04,2.250],
"number_observations_unique": 56934,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 80.500
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.310,2.250],
"number_observations": 18186,
"number_observations_unique": 3626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.616
},
{
"type": "R(meas)",
"value": 0.685
},
{
"type": "R(pim)",
"value": 0.294
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 67.100
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.814
}
]
},
{
"resolution_limits": [46.000,9.810],
"number_observations": 4247,
"number_observations_unique": 952,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 26.200
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}