Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "99ad8671093fce1770848a6cbb1cdb04",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.72,
"b": 79.77,
"c": 89.65,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.590,1.370],
"number_observations": 616315,
"number_observations_unique": 94975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.410,1.370],
"number_observations": 41513,
"number_observations_unique": 6911,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.641
},
{
"type": "R(meas)",
"value": 1.798
},
{
"type": "R(pim)",
"value": 0.727
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.422
}
]
},
{
"resolution_limits": [59.590,6.130],
"number_observations": 7270,
"number_observations_unique": 1204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 22.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}