Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "715c9a6e5c1109eb4b803bf835d9a821",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 82.277,
"b": 112.531,
"c": 88.253,
"alpha": 90.00,
"beta": 104.86,
"gamma": 90.00
},
"wavelengths": [0.96863],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.530,2.060],
"number_observations": 356281,
"number_observations_unique": 94888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.170,2.060],
"number_observations": 53328,
"number_observations_unique": 13811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.699
},
{
"type": "R(meas)",
"value": 0.808
},
{
"type": "R(pim)",
"value": 0.401
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.741
}
]
},
{
"resolution_limits": [79.530,6.510],
"number_observations": 11041,
"number_observations_unique": 3083,
"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": 21.400
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}