Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c5e911e85a236c279cb64c5d8a0fef9b",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 126.179,
"b": 126.179,
"c": 41.665,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.330,1.950],
"number_observations": 283289,
"number_observations_unique": 28045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 23.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 20939,
"number_observations_unique": 2061,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.707
},
{
"type": "R(meas)",
"value": 0.744
},
{
"type": "R(pim)",
"value": 0.233
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.912
}
]
},
{
"resolution_limits": [29.330,8.710],
"number_observations": 3351,
"number_observations_unique": 341,
"quality_factors": [
{
"type": "R(merge)",
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},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
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},
{
"type": "Completeness",
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},
{
"type": "Redundancy",
"value": 9.800
},
{
"type": "CC(1/2)",
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}
]
}
]
}