Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ac582fdbd5adb9d8de4de9aacc60137b",
"space_group_name": "P 41 2 2",
"unit_cell": {
"a": 60.08,
"b": 60.08,
"c": 110.13,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.060,1.760],
"number_observations": 263653,
"number_observations_unique": 20742,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.760],
"number_observations": 20002,
"number_observations_unique": 1495,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.437
},
{
"type": "R(meas)",
"value": 2.534
},
{
"type": "R(pim)",
"value": 0.688
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.400
},
{
"type": "CC(1/2)",
"value": 0.673
}
]
},
{
"resolution_limits": [55.060,7.870],
"number_observations": 3091,
"number_observations_unique": 297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 42.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}