Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c5534abb6ef02393fa0ad4842d34f324",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 121.111,
"b": 48.436,
"c": 83.317,
"alpha": 90.00,
"beta": 124.17,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.610,1.600],
"number_observations": 345218,
"number_observations_unique": 52822,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 11402,
"number_observations_unique": 2479,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.638
},
{
"type": "R(meas)",
"value": 1.853
},
{
"type": "R(pim)",
"value": 0.843
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.427
}
]
},
{
"resolution_limits": [43.610,8.760],
"number_observations": 2295,
"number_observations_unique": 358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 82.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}