Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "185461b322699acf9cb25d8764b78ac3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 24.211,
"b": 33.713,
"c": 58.551,
"alpha": 90.00,
"beta": 98.11,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.142,1.1250],
"number_observations_unique": 67312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 16.890
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.406
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.150,1.130],
"number_observations": 15726,
"number_observations_unique": 4855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.359
},
{
"type": "R(meas)",
"value": 0.430
},
{
"type": "I/SigI",
"value": 3.290
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 3.239
},
{
"type": "CC(1/2)",
"value": 0.904
}
]
},
{
"resolution_limits": [1.190,1.150],
"number_observations": 14983,
"number_observations_unique": 4644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "R(meas)",
"value": 0.275
},
{
"type": "I/SigI",
"value": 5.110
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 3.226
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [1.220,1.190],
"number_observations": 15548,
"number_observations_unique": 4667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "R(meas)",
"value": 0.209
},
{
"type": "I/SigI",
"value": 6.730
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 3.331
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [1.260,1.220],
"number_observations": 15673,
"number_observations_unique": 4495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "I/SigI",
"value": 8.320
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 3.487
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [1.300,1.260],
"number_observations": 15170,
"number_observations_unique": 4399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 10.470
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 3.449
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [1.350,1.300],
"number_observations": 14405,
"number_observations_unique": 4267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 11.470
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.376
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.400,1.350],
"number_observations": 13408,
"number_observations_unique": 4110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 11.950
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.262
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [1.450,1.400],
"number_observations": 13273,
"number_observations_unique": 3966,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 13.240
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.347
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [1.520,1.450],
"number_observations": 14067,
"number_observations_unique": 3915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 15.480
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.593
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [1.590,1.520],
"number_observations": 13133,
"number_observations_unique": 3724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 16.110
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.527
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.680,1.590],
"number_observations": 12176,
"number_observations_unique": 3480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 16.930
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.499
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.780,1.680],
"number_observations": 11207,
"number_observations_unique": 3369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 18.930
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.327
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.900,1.780],
"number_observations": 10372,
"number_observations_unique": 3156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 23.140
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.286
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.050,1.900],
"number_observations": 9907,
"number_observations_unique": 2911,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 28.400
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.403
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.250,2.050],
"number_observations": 9829,
"number_observations_unique": 2717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 35.720
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.618
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.520,2.250],
"number_observations": 8711,
"number_observations_unique": 2435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 40.360
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.577
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.910,2.520],
"number_observations": 7509,
"number_observations_unique": 2168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 38.200
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.464
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.560,2.910],
"number_observations": 6101,
"number_observations_unique": 1843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 34.190
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.310
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.030,3.560],
"number_observations": 5119,
"number_observations_unique": 1414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 39.490
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.620
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [29.142,5.030],
"number_observations": 2936,
"number_observations_unique": 777,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 46.390
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.779
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}