Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "123ee52db63a26efb9376e5b2dc1b1ee",
"space_group_name": "P 1",
"unit_cell": {
"a": 45.52,
"b": 54.78,
"c": 57.34,
"alpha": 116.80,
"beta": 103.47,
"gamma": 92.92
},
"wavelengths": [1.50000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [23.720,1.990],
"number_observations": 47404,
"number_observations_unique": 28309,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 87.600
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.040,1.990],
"number_observations": 2369,
"number_observations_unique": 1441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.219
},
{
"type": "R(pim)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 60.600
},
{
"type": "Redundancy",
"value": 1.600
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
},
{
"resolution_limits": [23.720,8.910],
"number_observations": 540,
"number_observations_unique": 288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 18.900
},
{
"type": "Completeness",
"value": 79.300
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
}
]
}