Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9204969b6a0748f2b17b96d8f9d3154b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 46.78,
"b": 53.87,
"c": 113.62,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.676,2.130],
"number_observations_unique": 16578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 17.220
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.036
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.190,2.130],
"number_observations_unique": 1193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.358
},
{
"type": "R(meas)",
"value": 0.412
},
{
"type": "I/SigI",
"value": 4.120
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.061
},
{
"type": "CC(1/2)",
"value": 0.933
}
]
},
{
"resolution_limits": [2.250,2.190],
"number_observations_unique": 1201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.315
},
{
"type": "R(meas)",
"value": 0.362
},
{
"type": "I/SigI",
"value": 4.550
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.090
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [2.310,2.250],
"number_observations_unique": 1137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "R(meas)",
"value": 0.308
},
{
"type": "I/SigI",
"value": 5.510
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.090
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [2.380,2.310],
"number_observations_unique": 1109,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.251
},
{
"type": "R(meas)",
"value": 0.288
},
{
"type": "I/SigI",
"value": 5.830
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.087
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [2.460,2.380],
"number_observations_unique": 1096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "R(meas)",
"value": 0.219
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.084
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [2.550,2.460],
"number_observations_unique": 1029,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.191
},
{
"type": "I/SigI",
"value": 8.210
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.070
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.640,2.550],
"number_observations_unique": 1021,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 9.980
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.071
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.750,2.640],
"number_observations_unique": 981,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 10.980
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.093
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.870,2.750],
"number_observations_unique": 927,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 13.030
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.037
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.010,2.870],
"number_observations_unique": 905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 15.840
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.053
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.180,3.010],
"number_observations_unique": 855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 20.220
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.064
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.370,3.180],
"number_observations_unique": 817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 24.610
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.035
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.600,3.370],
"number_observations_unique": 771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 29.710
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.030
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.890,3.600],
"number_observations_unique": 714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 34.440
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.027
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.260,3.890],
"number_observations_unique": 654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 38.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.972
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.760,4.260],
"number_observations_unique": 607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 40.600
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.944
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.500,4.760],
"number_observations_unique": 525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 39.970
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.968
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.740,5.500],
"number_observations_unique": 461,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 37.380
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.926
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [9.530,6.740],
"number_observations_unique": 361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 43.220
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.753
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [48.676,9.530],
"number_observations_unique": 214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 46.700
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 3.421
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}