Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "8a77f6b6e10b3981c1ab8a1072f4f1d6",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.675,
"b": 88.675,
"c": 39.503,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.340,0.970],
"number_observations": 1096794,
"number_observations_unique": 180466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [0.990,0.970],
"number_observations": 26475,
"number_observations_unique": 8310,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.326
},
{
"type": "R(meas)",
"value": 1.584
},
{
"type": "R(pim)",
"value": 0.838
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.395
}
]
},
{
"resolution_limits": [44.340,5.310],
"number_observations": 8227,
"number_observations_unique": 1198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 61.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}