Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fa621ed6362bce7f25a064c9993eec47",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 41.79,
"b": 88.17,
"c": 75.85,
"alpha": 90.00,
"beta": 101.62,
"gamma": 90.00
},
"wavelengths": [0.97872,1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.800],
"number_observations_unique": 48663,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 14.690
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.8
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.800],
"number_observations_unique": 2968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.355
},
{
"type": "R(meas)",
"value": 0.429
},
{
"type": "I/SigI",
"value": 2.910
},
{
"type": "Completeness",
"value": 80.400
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.865
}
]
},
{
"resolution_limits": [1.900,1.850],
"number_observations_unique": 3216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.327
},
{
"type": "R(meas)",
"value": 0.389
},
{
"type": "I/SigI",
"value": 3.530
},
{
"type": "Completeness",
"value": 89.700
},
{
"type": "Redundancy",
"value": 3.35
},
{
"type": "CC(1/2)",
"value": 0.893
}
]
},
{
"resolution_limits": [1.950,1.900],
"number_observations_unique": 3323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.276
},
{
"type": "R(meas)",
"value": 0.319
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.91
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [2.010,1.950],
"number_observations_unique": 3407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.242
},
{
"type": "R(meas)",
"value": 0.272
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.79
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [2.080,2.010],
"number_observations_unique": 3288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "R(meas)",
"value": 0.237
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.27
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [2.150,2.080],
"number_observations_unique": 3139,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.195
},
{
"type": "I/SigI",
"value": 9.240
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.28
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.230,2.150],
"number_observations_unique": 3087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "R(meas)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 10.730
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.27
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.320,2.230],
"number_observations_unique": 2985,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 12.160
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.24
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.430,2.320],
"number_observations_unique": 2797,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 13.370
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.29
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.550,2.430],
"number_observations_unique": 2695,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 14.860
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.26
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.680,2.550],
"number_observations_unique": 2591,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 16.550
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.26
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.850,2.680],
"number_observations_unique": 2433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 18.840
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.24
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.040,2.850],
"number_observations_unique": 2319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 21.480
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.22
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.290,3.040],
"number_observations_unique": 2125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 24.760
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.17
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.600,3.290],
"number_observations_unique": 1972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 28.330
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 5.14
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.020,3.600],
"number_observations_unique": 1786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 31.580
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.10
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.650,4.020],
"number_observations_unique": 1586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 33.930
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.12
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.690,4.650],
"number_observations_unique": 1321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 33.650
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.15
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [8.050,5.690],
"number_observations_unique": 1050,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 32.570
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.01
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50,8.050],
"number_observations_unique": 575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 35.040
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.72
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}