Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "db253ee69e1b8206117f08eed259e858",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.31,
"b": 41.36,
"c": 72.12,
"alpha": 90.00,
"beta": 104.22,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.123,1.750],
"number_observations": 132782,
"number_observations_unique": 41104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 11.890
},
{
"type": "Completeness",
"value": 86.400
},
{
"type": "Redundancy",
"value": 3.230
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.750],
"number_observations": 2029,
"number_observations_unique": 1049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.711
},
{
"type": "R(meas)",
"value": 0.960
},
{
"type": "I/SigI",
"value": 1.390
},
{
"type": "Completeness",
"value": 29.400
},
{
"type": "Redundancy",
"value": 1.934
},
{
"type": "CC(1/2)",
"value": 0.441
}
]
},
{
"resolution_limits": [1.850,1.800],
"number_observations": 4275,
"number_observations_unique": 1959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.558
},
{
"type": "R(meas)",
"value": 0.741
},
{
"type": "I/SigI",
"value": 2.290
},
{
"type": "Completeness",
"value": 56.700
},
{
"type": "Redundancy",
"value": 2.182
},
{
"type": "CC(1/2)",
"value": 0.569
}
]
},
{
"resolution_limits": [1.900,1.850],
"number_observations": 5221,
"number_observations_unique": 2249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.451
},
{
"type": "R(meas)",
"value": 0.590
},
{
"type": "I/SigI",
"value": 3.090
},
{
"type": "Completeness",
"value": 68.500
},
{
"type": "Redundancy",
"value": 2.321
},
{
"type": "CC(1/2)",
"value": 0.722
}
]
},
{
"resolution_limits": [1.960,1.900],
"number_observations": 6386,
"number_observations_unique": 2557,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.374
},
{
"type": "R(meas)",
"value": 0.477
},
{
"type": "I/SigI",
"value": 4.190
},
{
"type": "Completeness",
"value": 79.600
},
{
"type": "Redundancy",
"value": 2.497
},
{
"type": "CC(1/2)",
"value": 0.790
}
]
},
{
"resolution_limits": [2.020,1.960],
"number_observations": 8395,
"number_observations_unique": 2902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.298
},
{
"type": "R(meas)",
"value": 0.368
},
{
"type": "I/SigI",
"value": 5.420
},
{
"type": "Completeness",
"value": 90.800
},
{
"type": "Redundancy",
"value": 2.893
},
{
"type": "CC(1/2)",
"value": 0.891
}
]
},
{
"resolution_limits": [2.100,2.020],
"number_observations": 10636,
"number_observations_unique": 2993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.266
},
{
"type": "R(meas)",
"value": 0.314
},
{
"type": "I/SigI",
"value": 7.120
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.554
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
},
{
"resolution_limits": [2.170,2.100],
"number_observations": 10629,
"number_observations_unique": 2932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "R(meas)",
"value": 0.241
},
{
"type": "I/SigI",
"value": 8.610
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.625
},
{
"type": "CC(1/2)",
"value": 0.956
}
]
},
{
"resolution_limits": [2.260,2.170],
"number_observations": 10025,
"number_observations_unique": 2757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.199
},
{
"type": "I/SigI",
"value": 9.790
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.636
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [2.360,2.260],
"number_observations": 9642,
"number_observations_unique": 2699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 10.290
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.572
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [2.480,2.360],
"number_observations": 8858,
"number_observations_unique": 2540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 11.210
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.487
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [2.610,2.480],
"number_observations": 7810,
"number_observations_unique": 2393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.264
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.770,2.610],
"number_observations": 8454,
"number_observations_unique": 2320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 13.870
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.644
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.960,2.770],
"number_observations": 7812,
"number_observations_unique": 2177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 15.290
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.588
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.200,2.960],
"number_observations": 6900,
"number_observations_unique": 1971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 17.310
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.501
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.510,3.200],
"number_observations": 6124,
"number_observations_unique": 1826,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 19.030
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.354
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.920,3.510],
"number_observations": 5137,
"number_observations_unique": 1609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 21.870
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 3.193
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.530,3.920],
"number_observations": 5300,
"number_observations_unique": 1488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 26.050
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.562
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.540,4.530],
"number_observations": 4280,
"number_observations_unique": 1235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 28.720
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.466
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [7.840,5.540],
"number_observations": 3001,
"number_observations_unique": 928,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 30.160
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 3.234
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [29.123,7.840],
"number_observations": 1868,
"number_observations_unique": 520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 36.840
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.592
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}