Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a86a12907058b67ce577d73b8f6a0a8e",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.833,
"b": 88.833,
"c": 39.465,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.420,1.020],
"number_observations": 1021981,
"number_observations_unique": 156414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.040,1.020],
"number_observations": 44610,
"number_observations_unique": 7613,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.510
},
{
"type": "R(meas)",
"value": 1.660
},
{
"type": "R(pim)",
"value": 0.673
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.640
}
]
},
{
"resolution_limits": [44.420,5.590],
"number_observations": 7071,
"number_observations_unique": 1035,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 32.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}