Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c5a9d8b76219eb4be80a1914aaccb750",
"space_group_name": "P 62",
"unit_cell": {
"a": 95.034,
"b": 95.034,
"c": 34.067,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.480,1.170],
"number_observations": 1128639,
"number_observations_unique": 59502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 32.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 19.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.230,1.170],
"number_observations": 122073,
"number_observations_unique": 8428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.874
},
{
"type": "R(meas)",
"value": 0.906
},
{
"type": "R(pim)",
"value": 0.234
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 14.500
},
{
"type": "CC(1/2)",
"value": 0.860
}
]
},
{
"resolution_limits": [31.480,3.690],
"number_observations": 35640,
"number_observations_unique": 2002,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.005
},
{
"type": "I/SigI",
"value": 118.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 17.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}