Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "57385418fd4a597cdd6eb071bab4591a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 32.417,
"b": 53.780,
"c": 75.018,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00002],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.71,1.120],
"number_observations": 305645,
"number_observations_unique": 47029,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 25.210
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 6.030
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.150,1.120],
"number_observations": 14870,
"number_observations_unique": 2728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.308
},
{
"type": "R(meas)",
"value": 0.340
},
{
"type": "I/SigI",
"value": 5.340
},
{
"type": "Completeness",
"value": 73.700
},
{
"type": "Redundancy",
"value": 5.451
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [1.180,1.150],
"number_observations": 21591,
"number_observations_unique": 3135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "R(meas)",
"value": 0.286
},
{
"type": "I/SigI",
"value": 7.420
},
{
"type": "Completeness",
"value": 85.700
},
{
"type": "Redundancy",
"value": 6.887
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [1.210,1.180],
"number_observations": 20545,
"number_observations_unique": 3095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "R(meas)",
"value": 0.246
},
{
"type": "I/SigI",
"value": 8.190
},
{
"type": "Completeness",
"value": 87.400
},
{
"type": "Redundancy",
"value": 6.638
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [1.250,1.210],
"number_observations": 19928,
"number_observations_unique": 3099,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "R(meas)",
"value": 0.210
},
{
"type": "I/SigI",
"value": 9.510
},
{
"type": "Completeness",
"value": 89.300
},
{
"type": "Redundancy",
"value": 6.430
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [1.290,1.250],
"number_observations": 20892,
"number_observations_unique": 3036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "I/SigI",
"value": 11.980
},
{
"type": "Completeness",
"value": 90.900
},
{
"type": "Redundancy",
"value": 6.881
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [1.340,1.290],
"number_observations": 20412,
"number_observations_unique": 2998,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 6.809
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [1.390,1.340],
"number_observations": 18885,
"number_observations_unique": 2872,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 16.380
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 6.576
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.450,1.390],
"number_observations": 18290,
"number_observations_unique": 2804,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 19.960
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 6.523
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.510,1.450],
"number_observations": 18739,
"number_observations_unique": 2713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 24.750
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 6.907
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.580,1.510],
"number_observations": 17684,
"number_observations_unique": 2608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 32.010
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 6.781
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.670,1.580],
"number_observations": 16686,
"number_observations_unique": 2524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 37.360
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 6.611
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.770,1.670],
"number_observations": 14879,
"number_observations_unique": 2399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 42.650
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 6.202
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.890,1.770],
"number_observations": 15546,
"number_observations_unique": 2264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 53.170
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 6.867
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.050,1.890],
"number_observations": 14275,
"number_observations_unique": 2147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 61.930
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 6.649
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [2.240,2.050],
"number_observations": 12451,
"number_observations_unique": 1953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 66.120
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 6.375
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.500,2.240],
"number_observations": 10402,
"number_observations_unique": 1829,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 64.840
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 5.687
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.890,2.500],
"number_observations": 10530,
"number_observations_unique": 1604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 74.420
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.565
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [3.540,2.890],
"number_observations": 8770,
"number_observations_unique": 1401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 76.410
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.260
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [5.010,3.540],
"number_observations": 6223,
"number_observations_unique": 1090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 75.480
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 5.709
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [43.730,5.010],
"number_observations": 4047,
"number_observations_unique": 664,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 77.810
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.095
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}