Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7c97a158309dae0befec0c2a3dd688bc",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 81.71,
"b": 174.75,
"c": 104.58,
"alpha": 90.00,
"beta": 108.71,
"gamma": 90.00
},
"wavelengths": [0.97740],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.800],
"number_observations_unique": 255864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 23.860
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.4
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.800],
"number_observations": 133976,
"number_observations_unique": 18885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.452
},
{
"type": "I/SigI",
"value": 4.310
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.1
}
]
},
{
"resolution_limits": [1.900,1.850],
"number_observations": 133063,
"number_observations_unique": 18492,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.365
},
{
"type": "I/SigI",
"value": 5.370
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [1.950,1.900],
"number_observations": 130045,
"number_observations_unique": 17845,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.287
},
{
"type": "I/SigI",
"value": 6.820
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.010,1.950],
"number_observations": 128212,
"number_observations_unique": 17398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "I/SigI",
"value": 8.340
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.080,2.010],
"number_observations": 125441,
"number_observations_unique": 16866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "I/SigI",
"value": 10.030
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.150,2.080],
"number_observations": 122246,
"number_observations_unique": 16339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "I/SigI",
"value": 12.270
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.230,2.150],
"number_observations": 118243,
"number_observations_unique": 15719,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 14.460
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.320,2.230],
"number_observations": 114572,
"number_observations_unique": 15200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 17.000
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.430,2.320],
"number_observations": 109314,
"number_observations_unique": 14492,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 18.630
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.550,2.430],
"number_observations": 105199,
"number_observations_unique": 13942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 21.800
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.680,2.550],
"number_observations": 99681,
"number_observations_unique": 13226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 24.920
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.850,2.680],
"number_observations": 93861,
"number_observations_unique": 12466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 29.280
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.040,2.850],
"number_observations": 88596,
"number_observations_unique": 11772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 33.870
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.290,3.040],
"number_observations": 82044,
"number_observations_unique": 10954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 42.390
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.600,3.290],
"number_observations": 74628,
"number_observations_unique": 10069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 53.180
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [4.020,3.600],
"number_observations": 66361,
"number_observations_unique": 9131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 59.820
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [4.650,4.020],
"number_observations": 59012,
"number_observations_unique": 8051,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 68.080
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [5.690,4.650],
"number_observations": 52258,
"number_observations_unique": 6825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 65.900
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [8.050,5.690],
"number_observations": 40749,
"number_observations_unique": 5313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 64.670
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [50,8.050],
"number_observations": 21985,
"number_observations_unique": 2913,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 84.940
},
{
"type": "Completeness",
"value": 99.100
}
]
}
]
}