Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dd6226db32ddcdf96115437638c630b2",
"space_group_name": "F 4 3 2",
"unit_cell": {
"a": 176.85,
"b": 176.85,
"c": 176.85,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.530,1.810],
"number_observations": 1726414,
"number_observations_unique": 22172,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 35.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 77.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.810],
"number_observations": 123186,
"number_observations_unique": 1600,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.103
},
{
"type": "R(meas)",
"value": 4.130
},
{
"type": "R(pim)",
"value": 0.468
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 77.000
},
{
"type": "CC(1/2)",
"value": 0.847
}
]
},
{
"resolution_limits": [62.530,8.100],
"number_observations": 19780,
"number_observations_unique": 323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 138.600
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 61.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}