Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cc2beea6f090cb0efe3ce86d0d20d71c",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.789,
"b": 71.789,
"c": 150.821,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.540,1.340],
"number_observations": 1103104,
"number_observations_unique": 89097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 24.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.340],
"number_observations": 34404,
"number_observations_unique": 4361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.765
},
{
"type": "R(meas)",
"value": 0.818
},
{
"type": "R(pim)",
"value": 0.285
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.798
}
]
},
{
"resolution_limits": [29.540,7.220],
"number_observations": 8111,
"number_observations_unique": 685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 78.800
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}