Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "f5d4589271d41c76da03176497a168f2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 44.045,
"b": 102.034,
"c": 146.268,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11590],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.760,1.960],
"number_observations": 307486,
"number_observations_unique": 47983,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.960],
"number_observations": 20374,
"number_observations_unique": 3317,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.372
},
{
"type": "R(meas)",
"value": 2.591
},
{
"type": "R(pim)",
"value": 1.026
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.227
}
]
},
{
"resolution_limits": [48.760,9.000],
"number_observations": 3467,
"number_observations_unique": 593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 43.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}