Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e9bed0af22075d354abbb82418e7202d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.379,
"b": 73.067,
"c": 52.872,
"alpha": 90.00,
"beta": 109.48,
"gamma": 90.00
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.177,1.120],
"number_observations": 449091,
"number_observations_unique": 124427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 14.160
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.609
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.180,1.120],
"number_observations": 63092,
"number_observations_unique": 19094,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.490
},
{
"type": "R(meas)",
"value": 0.583
},
{
"type": "I/SigI",
"value": 2.260
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "CC(1/2)",
"value": 0.795
}
]
},
{
"resolution_limits": [1.270,1.180],
"number_observations": 66774,
"number_observations_unique": 19101,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.330
},
{
"type": "R(meas)",
"value": 0.389
},
{
"type": "I/SigI",
"value": 3.410
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.889
}
]
},
{
"resolution_limits": [1.370,1.270],
"number_observations": 63927,
"number_observations_unique": 17750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "R(meas)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 5.020
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [1.500,1.370],
"number_observations": 60752,
"number_observations_unique": 16321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "I/SigI",
"value": 8.360
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [1.670,1.500],
"number_observations": 55455,
"number_observations_unique": 14801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 13.190
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [1.930,1.670],
"number_observations": 49260,
"number_observations_unique": 13053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 21.460
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.360,1.930],
"number_observations": 40900,
"number_observations_unique": 11021,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 32.870
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.340,2.360],
"number_observations": 32119,
"number_observations_unique": 8571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 41.790
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [41.177,3.340],
"number_observations": 16812,
"number_observations_unique": 4715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 49.280
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}