Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c45f273d0e9310f79a600645b52550e8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 101.903,
"b": 101.101,
"c": 175.526,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.10000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.932,3.63],
"number_observations_unique": 21054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "R(meas)",
"value": 0.238
},
{
"type": "I/SigI",
"value": 10.570
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 20.991
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.850,3.630],
"number_observations": 65011,
"number_observations_unique": 3250,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.226
},
{
"type": "R(meas)",
"value": 2.284
},
{
"type": "I/SigI",
"value": 1.340
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 20.003
},
{
"type": "CC(1/2)",
"value": 0.515
}
]
},
{
"resolution_limits": [4.110,3.850],
"number_observations": 69881,
"number_observations_unique": 3145,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.453
},
{
"type": "R(meas)",
"value": 1.487
},
{
"type": "I/SigI",
"value": 2.410
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.220
},
{
"type": "CC(1/2)",
"value": 0.753
}
]
},
{
"resolution_limits": [4.440,4.110],
"number_observations": 64986,
"number_observations_unique": 2955,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.830
},
{
"type": "R(meas)",
"value": 0.850
},
{
"type": "I/SigI",
"value": 4.450
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.992
},
{
"type": "CC(1/2)",
"value": 0.904
}
]
},
{
"resolution_limits": [4.860,4.440],
"number_observations": 58991,
"number_observations_unique": 2723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.554
},
{
"type": "R(meas)",
"value": 0.567
},
{
"type": "I/SigI",
"value": 6.850
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.664
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [5.430,4.860],
"number_observations": 52811,
"number_observations_unique": 2469,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.396
},
{
"type": "R(meas)",
"value": 0.405
},
{
"type": "I/SigI",
"value": 9.350
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.390
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [6.250,5.430],
"number_observations": 45432,
"number_observations_unique": 2205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.309
},
{
"type": "R(meas)",
"value": 0.317
},
{
"type": "I/SigI",
"value": 11.170
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.604
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [7.630,6.250],
"number_observations": 35172,
"number_observations_unique": 1885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 17.330
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.659
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [10.660,7.630],
"number_observations": 32131,
"number_observations_unique": 1496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 36.120
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.478
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [48.932,10.660],
"number_observations": 17539,
"number_observations_unique": 926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 47.920
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 18.941
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}