Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5b08964a29d37da50fd384758085cabd",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 46.539,
"b": 79.809,
"c": 112.159,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.380,1.450],
"number_observations": 327094,
"number_observations_unique": 74140,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.450],
"number_observations": 8807,
"number_observations_unique": 3395,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "R(meas)",
"value": 0.250
},
{
"type": "R(pim)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.912
}
]
},
{
"resolution_limits": [27.380,7.940],
"number_observations": 2423,
"number_observations_unique": 523,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 30.200
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}