Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "524fa5d5dafc23ece73c3bb414d71359",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 93.412,
"b": 93.412,
"c": 130.149,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97264],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.960,1.340],
"number_observations": 692311,
"number_observations_unique": 74000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.390,1.340],
"number_observations": 65446,
"number_observations_unique": 7010,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.042
},
{
"type": "R(meas)",
"value": 1.103
},
{
"type": "R(pim)",
"value": 0.354
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.689
}
]
},
{
"resolution_limits": [43.960,5.190],
"number_observations": 12194,
"number_observations_unique": 1422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 36.300
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 8.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}