Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "e5a72cfaf3b5ba9ece1eb7da1c3dc894",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.605,
"b": 88.605,
"c": 39.446,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.300,0.970],
"number_observations": 1098381,
"number_observations_unique": 179804,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 19.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [0.990,0.970],
"number_observations": 27319,
"number_observations_unique": 8200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.613
},
{
"type": "R(meas)",
"value": 0.726
},
{
"type": "R(pim)",
"value": 0.378
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 91.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.777
}
]
},
{
"resolution_limits": [44.300,5.310],
"number_observations": 8069,
"number_observations_unique": 1194,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 61.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}