Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ebfeeb12ff4088546435eb49a2f379ee",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 80.511,
"b": 97.030,
"c": 58.203,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.100,1.920],
"number_observations": 112657,
"number_observations_unique": 17474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.920],
"number_observations": 6629,
"number_observations_unique": 1151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.841
},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.861
}
]
},
{
"resolution_limits": [29.100,8.600],
"number_observations": 1393,
"number_observations_unique": 228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 39.200
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
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},
{
"type": "CC(1/2)",
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}
]
}
]
}