Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "397addd5c30dbfabc8da68c85218d367",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 103.42,
"b": 103.42,
"c": 168.33,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [168.327,2.55],
"number_observations": 307377,
"number_observations_unique": 18008,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 28.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.690,2.550],
"number_observations": 26306,
"number_observations_unique": 2551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.420
},
{
"type": "R(pim)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.300
}
]
},
{
"resolution_limits": [2.850,2.690],
"number_observations": 36642,
"number_observations_unique": 2426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.358
},
{
"type": "R(pim)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.100
}
]
},
{
"resolution_limits": [3.050,2.850],
"number_observations": 44801,
"number_observations_unique": 2290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.600
}
]
},
{
"resolution_limits": [3.300,3.050],
"number_observations": 40633,
"number_observations_unique": 2146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.900
}
]
},
{
"resolution_limits": [3.610,3.300],
"number_observations": 38014,
"number_observations_unique": 1977,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.200
}
]
},
{
"resolution_limits": [4.040,3.610],
"number_observations": 35363,
"number_observations_unique": 1806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.600
}
]
},
{
"resolution_limits": [4.660,4.040],
"number_observations": 29304,
"number_observations_unique": 1619,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.100
}
]
},
{
"resolution_limits": [5.710,4.660],
"number_observations": 25345,
"number_observations_unique": 1395,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.200
}
]
},
{
"resolution_limits": [8.070,5.710],
"number_observations": 20270,
"number_observations_unique": 1108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.300
}
]
},
{
"resolution_limits": [168.327,8.070],
"number_observations": 10699,
"number_observations_unique": 690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 19.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 15.500
}
]
}
]
}