Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "552e5ce1b4cbebc2d044b757d0dfdaf5",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.672,
"b": 88.672,
"c": 39.184,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.77488],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.340,1.010],
"number_observations": 1072146,
"number_observations_unique": 158596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.030,1.010],
"number_observations": 52207,
"number_observations_unique": 7782,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.729
},
{
"type": "R(meas)",
"value": 2.958
},
{
"type": "R(pim)",
"value": 1.128
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
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}
]
},
{
"resolution_limits": [44.340,5.530],
"number_observations": 7032,
"number_observations_unique": 1042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 52.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}