Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d319b5231a2a10156d35c9a668d1cf3b",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 52.05,
"b": 52.05,
"c": 104.70,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97872,1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.75],
"number_observations_unique": 17189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 24.94
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.91
},
{
"type": "CC(1/2)",
"value": 1
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.750],
"number_observations_unique": 1264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.639
},
{
"type": "R(meas)",
"value": 0.716
},
{
"type": "I/SigI",
"value": 2.180
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.944
},
{
"type": "CC(1/2)",
"value": 0.850
}
]
},
{
"resolution_limits": [1.840,1.800],
"number_observations_unique": 1200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.552
},
{
"type": "R(meas)",
"value": 0.603
},
{
"type": "I/SigI",
"value": 3.110
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.278
},
{
"type": "CC(1/2)",
"value": 0.911
}
]
},
{
"resolution_limits": [1.900,1.840],
"number_observations_unique": 1177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.460
},
{
"type": "R(meas)",
"value": 0.496
},
{
"type": "I/SigI",
"value": 4.280
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.179
},
{
"type": "CC(1/2)",
"value": 0.944
}
]
},
{
"resolution_limits": [1.960,1.900],
"number_observations_unique": 1149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.344
},
{
"type": "R(meas)",
"value": 0.370
},
{
"type": "I/SigI",
"value": 5.690
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.279
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [2.020,1.960],
"number_observations_unique": 1123,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "R(meas)",
"value": 0.249
},
{
"type": "I/SigI",
"value": 8.230
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.297
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.090,2.020],
"number_observations_unique": 1084,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "R(meas)",
"value": 0.188
},
{
"type": "I/SigI",
"value": 10.880
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.210
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.170,2.090],
"number_observations_unique": 1044,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 15.160
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.223
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.260,2.170],
"number_observations_unique": 1012,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 18.980
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.222
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.360,2.260],
"number_observations_unique": 957,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 22.860
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.245
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.480,2.360],
"number_observations_unique": 937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 27.360
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.223
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.610,2.480],
"number_observations_unique": 894,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 31.580
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.181
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.770,2.610],
"number_observations_unique": 829,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 35.440
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.201
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.960,2.770],
"number_observations_unique": 782,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 41.780
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.174
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.200,2.960],
"number_observations_unique": 752,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 47.360
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.150
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.500,3.200],
"number_observations_unique": 689,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 55.030
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.020
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.910,3.500],
"number_observations_unique": 641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 60.740
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.998
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [4.520,3.910],
"number_observations_unique": 551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 64.530
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.911
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [5.530,4.520],
"number_observations_unique": 487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 63.140
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.858
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [7.830,5.530],
"number_observations_unique": 383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 60.940
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.475
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50,7.830],
"number_observations_unique": 234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 62.200
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.615
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}