Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "499488c495aa7f3e15b7273529a98158",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.560,
"b": 71.560,
"c": 151.044,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.470,1.520],
"number_observations": 784310,
"number_observations_unique": 61014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 22.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.520],
"number_observations": 31959,
"number_observations_unique": 2816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.979
},
{
"type": "R(meas)",
"value": 1.024
},
{
"type": "R(pim)",
"value": 0.295
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.831
}
]
},
{
"resolution_limits": [29.470,8.330],
"number_observations": 5282,
"number_observations_unique": 459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 66.300
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}