Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c526b4c31f99c92a74b8549f76ab0cc6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 105.515,
"b": 63.236,
"c": 165.806,
"alpha": 90.00,
"beta": 93.54,
"gamma": 90.00
},
"wavelengths": [0.98700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,2.750],
"number_observations_unique": 57643,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.800,2.750],
"number_observations_unique": 2830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.473
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.215
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
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}
]
},
{
"resolution_limits": [2.850,2.800],
"number_observations_unique": 2824,
"quality_factors": [
{
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},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "Completeness",
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},
{
"type": "Redundancy",
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},
{
"type": "CC(1/2)",
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}
]
},
{
"resolution_limits": [2.900,2.850],
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"quality_factors": [
{
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},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
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},
{
"type": "CC(1/2)",
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}
]
},
{
"resolution_limits": [2.960,2.900],
"number_observations_unique": 2826,
"quality_factors": [
{
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},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "Completeness",
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},
{
"type": "Redundancy",
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},
{
"type": "CC(1/2)",
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}
]
}
]
}