Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "de42344c4d64b3535d4d7cbe3c2baf91",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.83,
"b": 57.13,
"c": 115.21,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.730,1.370],
"number_observations": 458973,
"number_observations_unique": 72719,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 15.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.410,1.370],
"number_observations": 27527,
"number_observations_unique": 5310,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.347
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.654
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
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}
]
},
{
"resolution_limits": [27.730,6.130],
"number_observations": 5492,
"number_observations_unique": 934,
"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",
"value": 58.500
},
{
"type": "Completeness",
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},
{
"type": "Redundancy",
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},
{
"type": "CC(1/2)",
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}
]
}
]
}