Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d85c838502158f631b33ba53284e721e",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 77.61,
"b": 100.06,
"c": 98.40,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.376,2.450],
"number_observations_unique": 14405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 32.960
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.349
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.510,2.450],
"number_observations_unique": 1048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.547
},
{
"type": "R(meas)",
"value": 0.587
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.498
},
{
"type": "CC(1/2)",
"value": 0.954
}
]
},
{
"resolution_limits": [2.580,2.510],
"number_observations_unique": 1015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.401
},
{
"type": "R(meas)",
"value": 0.431
},
{
"type": "I/SigI",
"value": 5.480
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.515
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [2.660,2.580],
"number_observations_unique": 999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.292
},
{
"type": "R(meas)",
"value": 0.314
},
{
"type": "I/SigI",
"value": 7.320
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.487
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.740,2.660],
"number_observations_unique": 956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "R(meas)",
"value": 0.270
},
{
"type": "I/SigI",
"value": 8.440
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.543
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.830,2.740],
"number_observations_unique": 939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "R(meas)",
"value": 0.205
},
{
"type": "I/SigI",
"value": 10.530
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.435
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.930,2.830],
"number_observations_unique": 917,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 14.450
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.494
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.040,2.930],
"number_observations_unique": 878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 18.470
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.433
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.160,3.040],
"number_observations_unique": 858,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 26.280
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.441
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.300,3.160],
"number_observations_unique": 796,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 32.460
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.396
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.460,3.300],
"number_observations_unique": 788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 38.860
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.401
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.650,3.460],
"number_observations_unique": 744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 49.820
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.397
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [3.870,3.650],
"number_observations_unique": 703,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 53.950
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.368
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.140,3.870],
"number_observations_unique": 668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 60.310
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.286
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.470,4.140],
"number_observations_unique": 628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 65.670
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.234
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [4.900,4.470],
"number_observations_unique": 573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 68.830
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.206
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [5.480,4.900],
"number_observations_unique": 521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 70.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.196
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [6.330,5.480],
"number_observations_unique": 475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 70.070
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.074
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [7.750,6.330],
"number_observations_unique": 401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 72.560
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.968
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [10.960,7.750],
"number_observations_unique": 315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 73.890
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.603
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [38.376,10.960],
"number_observations_unique": 183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 70.090
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 5.475
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}