Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d250f024d96c143eb46e23c323968ca8",
"space_group_name": "P 1",
"unit_cell": {
"a": 277.471,
"b": 396.638,
"c": 399.868,
"alpha": 69.66,
"beta": 83.65,
"gamma": 83.49
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [61.150,3.500],
"number_observations": 3182922,
"number_observations_unique": 1749831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.307
},
{
"type": "R(meas)",
"value": 0.434
},
{
"type": "R(pim)",
"value": 0.307
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 87.600
},
{
"type": "Redundancy",
"value": 1.800
}
]
},
"refln_shells": [
{
"resolution_limits": [3.690,3.500],
"number_observations_unique": 262319,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.481
},
{
"type": "R(meas)",
"value": 2.095
},
{
"type": "R(pim)",
"value": 1.481
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 89.900
},
{
"type": "Redundancy",
"value": 1.800
}
]
},
{
"resolution_limits": [3.910,3.690],
"number_observations_unique": 241456,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.165
},
{
"type": "R(meas)",
"value": 1.647
},
{
"type": "R(pim)",
"value": 1.165
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 87.400
},
{
"type": "Redundancy",
"value": 1.800
}
]
},
{
"resolution_limits": [4.180,3.910],
"number_observations_unique": 212423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.755
},
{
"type": "R(meas)",
"value": 1.067
},
{
"type": "R(pim)",
"value": 0.755
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 81.900
},
{
"type": "Redundancy",
"value": 1.800
}
]
},
{
"resolution_limits": [4.520,4.180],
"number_observations_unique": 219149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.407
},
{
"type": "R(meas)",
"value": 0.576
},
{
"type": "R(pim)",
"value": 0.407
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 1.800
}
]
},
{
"resolution_limits": [4.950,4.520],
"number_observations_unique": 198165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.260
},
{
"type": "R(meas)",
"value": 0.368
},
{
"type": "R(pim)",
"value": 0.260
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 1.800
}
]
},
{
"resolution_limits": [5.530,4.950],
"number_observations_unique": 166306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "R(meas)",
"value": 0.377
},
{
"type": "R(pim)",
"value": 0.267
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 82.800
},
{
"type": "Redundancy",
"value": 1.800
}
]
},
{
"resolution_limits": [6.390,5.530],
"number_observations_unique": 163606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "R(meas)",
"value": 0.303
},
{
"type": "R(pim)",
"value": 0.214
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 1.900
}
]
},
{
"resolution_limits": [7.830,6.390],
"number_observations_unique": 130253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "R(pim)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 87.100
},
{
"type": "Redundancy",
"value": 1.800
}
]
},
{
"resolution_limits": [11.070,7.830],
"number_observations_unique": 101869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 88.200
},
{
"type": "Redundancy",
"value": 1.800
}
]
},
{
"resolution_limits": [61.150,11.070],
"number_observations_unique": 54285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 86.000
},
{
"type": "Redundancy",
"value": 1.800
}
]
}
]
}