Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c4332e5f9d69d41fac5e12c482d4dcb3",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 76.47,
"b": 92.24,
"c": 135.49,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.400],
"number_observations_unique": 92937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 47.680
},
{
"type": "Completeness",
"value": 98.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.440,1.400],
"number_observations": 70148,
"number_observations_unique": 6433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.461
},
{
"type": "I/SigI",
"value": 5.310
},
{
"type": "Completeness",
"value": 93.400
}
]
},
{
"resolution_limits": [1.480,1.440],
"number_observations": 75047,
"number_observations_unique": 6343,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.310
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 94.600
}
]
},
{
"resolution_limits": [1.520,1.480],
"number_observations": 83501,
"number_observations_unique": 6323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.302
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 96.500
}
]
},
{
"resolution_limits": [1.570,1.520],
"number_observations": 101969,
"number_observations_unique": 6349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "I/SigI",
"value": 12.640
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [1.620,1.570],
"number_observations": 126096,
"number_observations_unique": 6173,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "I/SigI",
"value": 16.850
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.670,1.620],
"number_observations": 128750,
"number_observations_unique": 5989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "I/SigI",
"value": 19.790
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.740,1.670],
"number_observations": 129180,
"number_observations_unique": 5748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 24.240
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.810,1.740],
"number_observations": 131098,
"number_observations_unique": 5574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 29.080
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.890,1.810],
"number_observations": 130247,
"number_observations_unique": 5299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 32.130
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [1.980,1.890],
"number_observations": 115038,
"number_observations_unique": 5001,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 41.620
},
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [2.090,1.980],
"number_observations": 130249,
"number_observations_unique": 4869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 55.340
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.210,2.090],
"number_observations": 127515,
"number_observations_unique": 4620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 65.640
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.370,2.210],
"number_observations": 102524,
"number_observations_unique": 4300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 74.850
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [2.560,2.370],
"number_observations": 116578,
"number_observations_unique": 4058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 85.250
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.800,2.560],
"number_observations": 109668,
"number_observations_unique": 3716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 94.670
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.130,2.800],
"number_observations": 103650,
"number_observations_unique": 3400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 108.050
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.610,3.130],
"number_observations": 99039,
"number_observations_unique": 3007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 128.780
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.430,3.610],
"number_observations": 89681,
"number_observations_unique": 2551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 149.270
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [6.260,4.430],
"number_observations": 98715,
"number_observations_unique": 2019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 176.510
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [50.0,6.260],
"number_observations": 61424,
"number_observations_unique": 1165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 191.010
},
{
"type": "Completeness",
"value": 99.500
}
]
}
]
}