Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8de0fa93caec5badba0fec248b240284",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 98.427,
"b": 112.260,
"c": 98.605,
"alpha": 90.00,
"beta": 92.61,
"gamma": 90.00
},
"wavelengths": [0.97628],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [74.040,1.590],
"number_observations": 3635051,
"number_observations_unique": 286462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "R(meas)",
"value": 0.300
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.590],
"number_observations": 557114,
"number_observations_unique": 41679,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.342
},
{
"type": "R(meas)",
"value": 3.476
},
{
"type": "R(pim)",
"value": 0.948
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.400
},
{
"type": "CC(1/2)",
"value": 0.367
}
]
},
{
"resolution_limits": [74.040,5.030],
"number_observations": 133411,
"number_observations_unique": 9275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 19.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}