Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1722896d90eb8b36f956951c9ea21065",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.56,
"b": 54.18,
"c": 104.28,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.080,2.500],
"number_observations": 44467,
"number_observations_unique": 10275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 6.480
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 4.328
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.570,2.500],
"number_observations_unique": 711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.648
},
{
"type": "R(meas)",
"value": 0.744
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 91.400
},
{
"type": "Redundancy",
"value": 3.962
},
{
"type": "CC(1/2)",
"value": 0.846
}
]
},
{
"resolution_limits": [2.640,2.570],
"number_observations_unique": 742,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.532
},
{
"type": "R(meas)",
"value": 0.605
},
{
"type": "I/SigI",
"value": 1.850
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 4.364
},
{
"type": "CC(1/2)",
"value": 0.932
}
]
},
{
"resolution_limits": [2.710,2.640],
"number_observations_unique": 726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.448
},
{
"type": "R(meas)",
"value": 0.504
},
{
"type": "I/SigI",
"value": 2.170
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 4.585
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [2.800,2.710],
"number_observations_unique": 716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.419
},
{
"type": "R(meas)",
"value": 0.474
},
{
"type": "I/SigI",
"value": 2.520
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 4.437
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [2.890,2.800],
"number_observations_unique": 664,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.355
},
{
"type": "R(meas)",
"value": 0.403
},
{
"type": "I/SigI",
"value": 2.950
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 4.459
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [2.990,2.890],
"number_observations_unique": 659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.295
},
{
"type": "R(meas)",
"value": 0.335
},
{
"type": "I/SigI",
"value": 3.440
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 4.366
},
{
"type": "CC(1/2)",
"value": 0.954
}
]
},
{
"resolution_limits": [3.100,2.990],
"number_observations_unique": 621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "R(meas)",
"value": 0.239
},
{
"type": "I/SigI",
"value": 4.120
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 4.279
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [3.230,3.100],
"number_observations_unique": 598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.202
},
{
"type": "I/SigI",
"value": 5.360
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 4.227
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [3.370,3.230],
"number_observations_unique": 588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 6.760
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 4.490
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.540,3.370],
"number_observations_unique": 570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "I/SigI",
"value": 7.960
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 4.512
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.730,3.540],
"number_observations_unique": 529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 4.323
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.960,3.730],
"number_observations_unique": 510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 10.120
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 4.261
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.230,3.960],
"number_observations_unique": 452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 11.130
},
{
"type": "Completeness",
"value": 90.600
},
{
"type": "Redundancy",
"value": 4.150
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.570,4.230],
"number_observations_unique": 447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 12.250
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 4.445
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [5.000,4.570],
"number_observations_unique": 415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 11.990
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 4.398
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [5.590,5.000],
"number_observations_unique": 376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 12.230
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 4.279
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [6.460,5.590],
"number_observations_unique": 311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 11.850
},
{
"type": "Completeness",
"value": 88.900
},
{
"type": "Redundancy",
"value": 4.164
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [7.910,6.460],
"number_observations_unique": 286,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 13.020
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 4.311
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [11.190,7.910],
"number_observations_unique": 222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 13.710
},
{
"type": "Completeness",
"value": 91.400
},
{
"type": "Redundancy",
"value": 4.041
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [48.080,11.190],
"number_observations_unique": 132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 12.350
},
{
"type": "Completeness",
"value": 86.800
},
{
"type": "Redundancy",
"value": 3.705
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}