Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "35ef5ac3b112fa621d044e24ed6eb0fb",
"space_group_name": "P -1",
"unit_cell": {
"a": 10.85,
"b": 15.02,
"c": 21.62,
"alpha": 100.45,
"beta": 101.68,
"gamma": 110.55
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.4,1.100],
"number_observations_unique": 4083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 11.510
},
{
"type": "Completeness",
"value": 83.600
},
{
"type": "Redundancy",
"value": 3.308
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.130,1.100],
"number_observations_unique": 246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 8.140
},
{
"type": "Completeness",
"value": 67.800
},
{
"type": "Redundancy",
"value": 2.992
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [1.160,1.130],
"number_observations_unique": 279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 9.750
},
{
"type": "Completeness",
"value": 79.300
},
{
"type": "Redundancy",
"value": 3.337
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.190,1.160],
"number_observations_unique": 274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 9.320
},
{
"type": "Completeness",
"value": 79.900
},
{
"type": "Redundancy",
"value": 3.219
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.230,1.190],
"number_observations_unique": 261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 10.180
},
{
"type": "Completeness",
"value": 80.600
},
{
"type": "Redundancy",
"value": 3.253
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.270,1.230],
"number_observations_unique": 280,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 10.110
},
{
"type": "Completeness",
"value": 84.800
},
{
"type": "Redundancy",
"value": 3.304
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.320,1.270],
"number_observations_unique": 239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 9.980
},
{
"type": "Completeness",
"value": 81.000
},
{
"type": "Redundancy",
"value": 3.197
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.370,1.320],
"number_observations_unique": 271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 11.050
},
{
"type": "Completeness",
"value": 81.600
},
{
"type": "Redundancy",
"value": 3.295
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.420,1.370],
"number_observations_unique": 230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 10.930
},
{
"type": "Completeness",
"value": 87.500
},
{
"type": "Redundancy",
"value": 3.535
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [1.480,1.420],
"number_observations_unique": 244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 11.150
},
{
"type": "Completeness",
"value": 85.300
},
{
"type": "Redundancy",
"value": 3.361
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.560,1.480],
"number_observations_unique": 222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 12.480
},
{
"type": "Completeness",
"value": 81.300
},
{
"type": "Redundancy",
"value": 3.428
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.640,1.560],
"number_observations_unique": 213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 11.360
},
{
"type": "Completeness",
"value": 88.000
},
{
"type": "Redundancy",
"value": 3.385
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.740,1.640],
"number_observations_unique": 202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 12.060
},
{
"type": "Completeness",
"value": 87.100
},
{
"type": "Redundancy",
"value": 3.233
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [1.860,1.740],
"number_observations_unique": 217,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 13.230
},
{
"type": "Completeness",
"value": 88.600
},
{
"type": "Redundancy",
"value": 3.309
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.010,1.860],
"number_observations_unique": 184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 13.770
},
{
"type": "Completeness",
"value": 89.300
},
{
"type": "Redundancy",
"value": 3.484
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.200,2.010],
"number_observations_unique": 182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 14.360
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 3.489
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.460,2.200],
"number_observations_unique": 143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 14.740
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 3.413
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.840,2.460],
"number_observations_unique": 143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 14.950
},
{
"type": "Completeness",
"value": 88.800
},
{
"type": "Redundancy",
"value": 3.378
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.480,2.840],
"number_observations_unique": 113,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 15.230
},
{
"type": "Completeness",
"value": 90.400
},
{
"type": "Redundancy",
"value": 3.177
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [4.920,3.480],
"number_observations_unique": 95,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 14.490
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 3.105
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [20.4,4.920],
"number_observations_unique": 45,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 14.290
},
{
"type": "Completeness",
"value": 77.600
},
{
"type": "Redundancy",
"value": 3.111
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
}
]
}