Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3a1f7b790e4e4f7a12e46c6a239c0385",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 63.292,
"b": 85.661,
"c": 98.097,
"alpha": 90.00,
"beta": 93.85,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [64.460,1.784],
"number_observations": 566021,
"number_observations_unique": 98441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.815,1.784],
"number_observations": 28343,
"number_observations_unique": 4868,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.604
},
{
"type": "R(meas)",
"value": 2.861
},
{
"type": "R(pim)",
"value": 1.167
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.362
}
]
},
{
"resolution_limits": [64.460,4.843],
"number_observations": 27331,
"number_observations_unique": 4928,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}