Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8abc47bc31f57b2b5c8952cb1f85e791",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.19,
"b": 43.37,
"c": 78.81,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.160,1.200],
"number_observations": 522943,
"number_observations_unique": 41371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 24.580
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 12.640
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.230,1.200],
"number_observations": 26632,
"number_observations_unique": 2926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "I/SigI",
"value": 12.380
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 9.102
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [1.260,1.230],
"number_observations": 35705,
"number_observations_unique": 2892,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 15.240
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 12.346
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [1.300,1.260],
"number_observations": 38340,
"number_observations_unique": 2853,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 17.530
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 13.438
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.340,1.300],
"number_observations": 37472,
"number_observations_unique": 2801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 18.920
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 13.378
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.390,1.340],
"number_observations": 35445,
"number_observations_unique": 2690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 20.170
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 13.177
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.430,1.390],
"number_observations": 33892,
"number_observations_unique": 2638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 21.480
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 12.848
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.490,1.430],
"number_observations": 30452,
"number_observations_unique": 2534,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 22.390
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 12.017
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.550,1.490],
"number_observations": 33033,
"number_observations_unique": 2446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 25.420
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 13.505
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.620,1.550],
"number_observations": 32125,
"number_observations_unique": 2351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 27.260
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.664
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.700,1.620],
"number_observations": 30377,
"number_observations_unique": 2256,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 28.640
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.465
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.790,1.700],
"number_observations": 28430,
"number_observations_unique": 2149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 29.250
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.229
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.900,1.790],
"number_observations": 26234,
"number_observations_unique": 2037,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 30.470
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.879
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.030,1.900],
"number_observations": 22358,
"number_observations_unique": 1926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 29.720
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 11.609
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.190,2.030],
"number_observations": 24606,
"number_observations_unique": 1800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 33.670
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.670
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.400,2.190],
"number_observations": 22687,
"number_observations_unique": 1663,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 34.050
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.642
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.680,2.400],
"number_observations": 20295,
"number_observations_unique": 1510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 34.230
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.440
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.100,2.680],
"number_observations": 17347,
"number_observations_unique": 1352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 33.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.831
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.790,3.100],
"number_observations": 12342,
"number_observations_unique": 1138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 30.980
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 10.845
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [5.370,3.790],
"number_observations": 10287,
"number_observations_unique": 901,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 31.810
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 11.417
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [29.160,5.370],
"number_observations": 4884,
"number_observations_unique": 508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 28.430
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 9.614
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}