Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6de0cd7a0d64e92d9a53edab3eee62c4",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.904,
"b": 56.894,
"c": 115.040,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.900,1.200],
"number_observations": 579080,
"number_observations_unique": 106132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.230,1.200],
"number_observations": 22864,
"number_observations_unique": 7193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.881
},
{
"type": "R(meas)",
"value": 1.054
},
{
"type": "R(pim)",
"value": 0.563
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
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}
]
},
{
"resolution_limits": [56.900,5.370],
"number_observations": 7987,
"number_observations_unique": 1367,
"quality_factors": [
{
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},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 35.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
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},
{
"type": "CC(1/2)",
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}
]
}
]
}