Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "062aa34ad3e633262140acda28374e1a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 29.87,
"b": 66.62,
"c": 142.72,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.700,1.990],
"number_observations": 128444,
"number_observations_unique": 19986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 8.670
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.427
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.040,1.990],
"number_observations": 9743,
"number_observations_unique": 1434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.692
},
{
"type": "R(meas)",
"value": 0.749
},
{
"type": "I/SigI",
"value": 3.080
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.794
},
{
"type": "CC(1/2)",
"value": 0.862
}
]
},
{
"resolution_limits": [2.100,2.040],
"number_observations": 9322,
"number_observations_unique": 1401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.565
},
{
"type": "R(meas)",
"value": 0.613
},
{
"type": "I/SigI",
"value": 3.620
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.654
},
{
"type": "CC(1/2)",
"value": 0.910
}
]
},
{
"resolution_limits": [2.160,2.100],
"number_observations": 9149,
"number_observations_unique": 1386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.434
},
{
"type": "R(meas)",
"value": 0.471
},
{
"type": "I/SigI",
"value": 4.510
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.601
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
},
{
"resolution_limits": [2.220,2.160],
"number_observations": 8783,
"number_observations_unique": 1327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.366
},
{
"type": "R(meas)",
"value": 0.397
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.619
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [2.300,2.220],
"number_observations": 8665,
"number_observations_unique": 1347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "R(meas)",
"value": 0.314
},
{
"type": "I/SigI",
"value": 5.980
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.433
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [2.380,2.300],
"number_observations": 7906,
"number_observations_unique": 1227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.273
},
{
"type": "R(meas)",
"value": 0.297
},
{
"type": "I/SigI",
"value": 5.990
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.443
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [2.470,2.380],
"number_observations": 7640,
"number_observations_unique": 1241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "R(meas)",
"value": 0.226
},
{
"type": "I/SigI",
"value": 7.260
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.156
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.570,2.470],
"number_observations": 6314,
"number_observations_unique": 1093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "R(meas)",
"value": 0.201
},
{
"type": "I/SigI",
"value": 7.370
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 5.777
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [2.680,2.570],
"number_observations": 7484,
"number_observations_unique": 1153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "I/SigI",
"value": 9.120
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.491
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.810,2.680],
"number_observations": 7421,
"number_observations_unique": 1086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.833
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.970,2.810],
"number_observations": 7113,
"number_observations_unique": 1051,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 10.860
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.768
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.150,2.970],
"number_observations": 6593,
"number_observations_unique": 976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "I/SigI",
"value": 12.130
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.755
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.360,3.150],
"number_observations": 6195,
"number_observations_unique": 951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 12.930
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.514
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.630,3.360],
"number_observations": 5565,
"number_observations_unique": 865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 13.780
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.434
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.980,3.630],
"number_observations": 5009,
"number_observations_unique": 800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 14.460
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.261
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.450,3.980],
"number_observations": 4427,
"number_observations_unique": 752,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 14.520
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 5.887
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [5.140,4.450],
"number_observations": 3297,
"number_observations_unique": 609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 13.730
},
{
"type": "Completeness",
"value": 91.400
},
{
"type": "Redundancy",
"value": 5.414
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [6.290,5.140],
"number_observations": 3582,
"number_observations_unique": 561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 14.360
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.385
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [8.900,6.290],
"number_observations": 2808,
"number_observations_unique": 453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 14.880
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.199
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [48.700,8.900],
"number_observations": 1428,
"number_observations_unique": 273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 14.150
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 5.231
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}