Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "832ed29ce406f2e3f57a82fa7d6a30e0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 67.697,
"b": 71.160,
"c": 138.682,
"alpha": 90.00,
"beta": 101.69,
"gamma": 90.00
},
"wavelengths": [0.97934],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.450],
"number_observations": 174816,
"number_observations_unique": 48447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.166
},
{
"type": "R(pim)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.450],
"number_observations_unique": 2386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.740
},
{
"type": "R(meas)",
"value": 0.880
},
{
"type": "R(pim)",
"value": 0.472
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.683
}
]
},
{
"resolution_limits": [2.540,2.490],
"number_observations_unique": 2412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.721
},
{
"type": "R(meas)",
"value": 0.852
},
{
"type": "R(pim)",
"value": 0.451
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.709
}
]
},
{
"resolution_limits": [2.590,2.540],
"number_observations_unique": 2404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.704
},
{
"type": "R(meas)",
"value": 0.831
},
{
"type": "R(pim)",
"value": 0.436
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.708
}
]
},
{
"resolution_limits": [2.640,2.590],
"number_observations_unique": 2413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.661
},
{
"type": "R(meas)",
"value": 0.776
},
{
"type": "R(pim)",
"value": 0.403
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.760
}
]
},
{
"resolution_limits": [2.700,2.640],
"number_observations_unique": 2386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.590
},
{
"type": "R(meas)",
"value": 0.693
},
{
"type": "R(pim)",
"value": 0.362
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.797
}
]
},
{
"resolution_limits": [2.760,2.700],
"number_observations_unique": 2441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.484
},
{
"type": "R(meas)",
"value": 0.569
},
{
"type": "R(pim)",
"value": 0.296
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.857
}
]
},
{
"resolution_limits": [2.830,2.760],
"number_observations_unique": 2413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.453
},
{
"type": "R(meas)",
"value": 0.530
},
{
"type": "R(pim)",
"value": 0.275
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.854
}
]
},
{
"resolution_limits": [2.900,2.830],
"number_observations_unique": 2421,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.395
},
{
"type": "R(meas)",
"value": 0.464
},
{
"type": "R(pim)",
"value": 0.242
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.905
}
]
},
{
"resolution_limits": [2.990,2.900],
"number_observations_unique": 2429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.330
},
{
"type": "R(meas)",
"value": 0.387
},
{
"type": "R(pim)",
"value": 0.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.906
}
]
},
{
"resolution_limits": [3.090,2.990],
"number_observations_unique": 2422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.273
},
{
"type": "R(meas)",
"value": 0.321
},
{
"type": "R(pim)",
"value": 0.167
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
},
{
"resolution_limits": [3.200,3.090],
"number_observations_unique": 2391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "R(meas)",
"value": 0.262
},
{
"type": "R(pim)",
"value": 0.136
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [3.320,3.200],
"number_observations_unique": 2424,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "R(meas)",
"value": 0.219
},
{
"type": "R(pim)",
"value": 0.115
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [3.480,3.320],
"number_observations_unique": 2411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "R(pim)",
"value": 0.097
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [3.660,3.480],
"number_observations_unique": 2439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [3.890,3.660],
"number_observations_unique": 2426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [4.190,3.890],
"number_observations_unique": 2440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [4.610,4.190],
"number_observations_unique": 2411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [5.280,4.610],
"number_observations_unique": 2444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [6.650,5.280],
"number_observations_unique": 2452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [50.000,6.650],
"number_observations_unique": 2482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}