Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ea6dfe52131aae19c31e642e72479e36",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 50.67,
"b": 44.25,
"c": 64.80,
"alpha": 90.00,
"beta": 101.73,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.023,2.100],
"number_observations_unique": 16101,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 14.370
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 2.999
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.150,2.100],
"number_observations_unique": 1172,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.343
},
{
"type": "R(meas)",
"value": 0.418
},
{
"type": "I/SigI",
"value": 3.240
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 2.956
},
{
"type": "CC(1/2)",
"value": 0.872
}
]
},
{
"resolution_limits": [2.210,2.150],
"number_observations_unique": 1189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.282
},
{
"type": "R(meas)",
"value": 0.344
},
{
"type": "I/SigI",
"value": 3.860
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 2.968
},
{
"type": "CC(1/2)",
"value": 0.920
}
]
},
{
"resolution_limits": [2.280,2.210],
"number_observations_unique": 1105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "R(meas)",
"value": 0.294
},
{
"type": "I/SigI",
"value": 4.360
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 2.962
},
{
"type": "CC(1/2)",
"value": 0.928
}
]
},
{
"resolution_limits": [2.350,2.280],
"number_observations_unique": 1127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "R(meas)",
"value": 0.236
},
{
"type": "I/SigI",
"value": 5.370
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 2.984
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
{
"resolution_limits": [2.420,2.350],
"number_observations_unique": 1068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "I/SigI",
"value": 6.750
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 2.975
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [2.510,2.420],
"number_observations_unique": 1040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 7.540
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.003
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [2.600,2.510],
"number_observations_unique": 996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 8.930
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.026
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.710,2.600],
"number_observations_unique": 953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 10.480
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 2.993
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.830,2.710],
"number_observations_unique": 919,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 12.360
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.013
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.970,2.830],
"number_observations_unique": 874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 14.770
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.056
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.130,2.970],
"number_observations_unique": 816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 17.970
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 3.017
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.320,3.130],
"number_observations_unique": 788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 21.270
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.034
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.550,3.320],
"number_observations_unique": 732,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 24.730
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 3.033
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.830,3.550],
"number_observations_unique": 675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 28.150
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.018
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.200,3.830],
"number_observations_unique": 635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 30.530
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.006
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.700,4.200],
"number_observations_unique": 560,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 32.640
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 3.036
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.420,4.700],
"number_observations_unique": 511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 31.820
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.039
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.640,5.420],
"number_observations_unique": 428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 31.440
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 3.021
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [9.390,6.640],
"number_observations_unique": 327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 34.560
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 2.976
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [33.023,9.390],
"number_observations_unique": 186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 35.630
},
{
"type": "Completeness",
"value": 88.200
},
{
"type": "Redundancy",
"value": 2.796
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}