Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "015480bad3987eb58e90a7eb60a65617",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 70.241,
"b": 70.241,
"c": 174.984,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,1.400],
"number_observations_unique": 86971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 17.970
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.89
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.400],
"number_observations": 127271,
"number_observations_unique": 15971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.496
},
{
"type": "R(meas)",
"value": 0.531
},
{
"type": "I/SigI",
"value": 3.750
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.600,1.500],
"number_observations": 99830,
"number_observations_unique": 12306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.293
},
{
"type": "R(meas)",
"value": 0.313
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.800,1.600],
"number_observations": 139551,
"number_observations_unique": 17180,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "I/SigI",
"value": 10.870
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.000,1.800],
"number_observations": 88058,
"number_observations_unique": 11016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 18.880
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.000,2.000],
"number_observations": 162625,
"number_observations_unique": 21149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 30.570
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.000,3.000],
"number_observations": 39144,
"number_observations_unique": 5276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 40.130
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [6.000,4.000],
"number_observations": 20734,
"number_observations_unique": 2801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 42.460
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [8.000,6.000],
"number_observations": 5190,
"number_observations_unique": 716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 41.670
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [10.000,8.000],
"number_observations": 1808,
"number_observations_unique": 266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 41.080
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [30.000,10.000],
"number_observations": 1783,
"number_observations_unique": 290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 39.500
},
{
"type": "Completeness",
"value": 94.200
}
]
}
]
}