Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2f9b9ef6707710d60d9ffa7c9afd6546",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.225,
"b": 71.225,
"c": 150.208,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.320,1.240],
"number_observations": 1094649,
"number_observations_unique": 100472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 21.900
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.260,1.240],
"number_observations": 9493,
"number_observations_unique": 2810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.616
},
{
"type": "R(meas)",
"value": 0.721
},
{
"type": "R(pim)",
"value": 0.366
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 53.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.707
}
]
},
{
"resolution_limits": [29.320,6.790],
"number_observations": 8920,
"number_observations_unique": 812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 50.800
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}