Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2e522ec58472e5585f6a98153a19a51d",
"space_group_name": "I 2 3",
"unit_cell": {
"a": 166.91,
"b": 166.91,
"c": 166.91,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97857],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [118.0200,2.250],
"number_observations_unique": 36697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 21.880
},
{
"type": "Completeness",
"value": 99.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.310,2.250],
"number_observations": 20246,
"number_observations_unique": 2690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.471
},
{
"type": "I/SigI",
"value": 4.450
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.370,2.310],
"number_observations": 19779,
"number_observations_unique": 2630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.397
},
{
"type": "I/SigI",
"value": 5.310
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.440,2.370],
"number_observations": 19048,
"number_observations_unique": 2536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.356
},
{
"type": "I/SigI",
"value": 5.930
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.520,2.440],
"number_observations": 18931,
"number_observations_unique": 2514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.294
},
{
"type": "I/SigI",
"value": 7.120
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.600,2.520],
"number_observations": 17917,
"number_observations_unique": 2380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "I/SigI",
"value": 8.340
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.690,2.600],
"number_observations": 17648,
"number_observations_unique": 2343,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.790,2.690],
"number_observations": 16833,
"number_observations_unique": 2235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "I/SigI",
"value": 10.430
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.900,2.790],
"number_observations": 16463,
"number_observations_unique": 2184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 13.590
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.030,2.900],
"number_observations": 15536,
"number_observations_unique": 2070,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 16.320
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.180,3.030],
"number_observations": 14968,
"number_observations_unique": 1986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 20.300
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.350,3.180],
"number_observations": 14303,
"number_observations_unique": 1894,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 26.480
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.560,3.350],
"number_observations": 13520,
"number_observations_unique": 1800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 32.920
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.800,3.560],
"number_observations": 12850,
"number_observations_unique": 1710,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 39.550
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.110,3.800],
"number_observations": 11633,
"number_observations_unique": 1554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 45.190
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [4.500,4.110],
"number_observations": 10909,
"number_observations_unique": 1463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 50.540
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [5.030,4.500],
"number_observations": 9842,
"number_observations_unique": 1320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 54.490
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [5.810,5.030],
"number_observations": 8667,
"number_observations_unique": 1166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 47.090
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [7.120,5.810],
"number_observations": 7340,
"number_observations_unique": 999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 48.230
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [10.060,7.120],
"number_observations": 5593,
"number_observations_unique": 784,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 62.500
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [118.0200,10.060],
"number_observations": 2568,
"number_observations_unique": 439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 68.310
},
{
"type": "Completeness",
"value": 95.600
}
]
}
]
}