Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bd7ad57e1418310b3404e0a9570f4ff4",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.81,
"b": 85.92,
"c": 126.75,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.910,1.740],
"number_observations": 330623,
"number_observations_unique": 51668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.790,1.740],
"number_observations": 22084,
"number_observations_unique": 3738,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.462
},
{
"type": "R(meas)",
"value": 1.603
},
{
"type": "R(pim)",
"value": 0.647
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.458
}
]
},
{
"resolution_limits": [37.910,7.780],
"number_observations": 4015,
"number_observations_unique": 677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 34.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}