Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "2cf73e4328f198f3f0384cdbe319afeb",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.737,
"b": 88.737,
"c": 39.486,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.370,0.980],
"number_observations": 1095388,
"number_observations_unique": 175112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 17.000
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.000,0.980],
"number_observations": 29047,
"number_observations_unique": 7945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.892
},
{
"type": "R(meas)",
"value": 1.039
},
{
"type": "R(pim)",
"value": 0.517
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.613
}
]
},
{
"resolution_limits": [44.370,5.370],
"number_observations": 8043,
"number_observations_unique": 1164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"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": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}