Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a7030bd6469a9a6286fd8dda6478d270",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.576,
"b": 96.737,
"c": 57.958,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.980,1.950],
"number_observations": 98248,
"number_observations_unique": 16623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.950],
"number_observations": 3106,
"number_observations_unique": 768,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.086
},
{
"type": "R(meas)",
"value": 1.222
},
{
"type": "R(pim)",
"value": 0.546
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 57.900
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.545
}
]
},
{
"resolution_limits": [28.980,8.510],
"number_observations": 1482,
"number_observations_unique": 241,
"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": 41.300
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}