Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "120d615cc7688c6bf6ddf5a147c9af46",
"space_group_name": "I 41",
"unit_cell": {
"a": 108.93,
"b": 108.93,
"c": 49.83,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97934],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.5,2.320],
"number_observations_unique": 12822,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 24.250
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.5
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.320],
"number_observations": 7328,
"number_observations_unique": 961,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.707
},
{
"type": "I/SigI",
"value": 3.030
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.450,2.380],
"number_observations": 6905,
"number_observations_unique": 908,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.621
},
{
"type": "I/SigI",
"value": 3.540
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.520,2.450],
"number_observations": 6620,
"number_observations_unique": 870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.521
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.590,2.520],
"number_observations": 6664,
"number_observations_unique": 876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.362
},
{
"type": "I/SigI",
"value": 6.090
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.680,2.590],
"number_observations": 6340,
"number_observations_unique": 831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.289
},
{
"type": "I/SigI",
"value": 7.470
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.770,2.680],
"number_observations": 6261,
"number_observations_unique": 821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "I/SigI",
"value": 9.910
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.880,2.770],
"number_observations": 5930,
"number_observations_unique": 779,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "I/SigI",
"value": 12.210
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.000,2.880],
"number_observations": 5984,
"number_observations_unique": 780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 16.040
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.130,3.000],
"number_observations": 5389,
"number_observations_unique": 710,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 21.710
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.280,3.130],
"number_observations": 5282,
"number_observations_unique": 692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 26.440
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.460,3.280],
"number_observations": 4997,
"number_observations_unique": 660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 34.400
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.670,3.460],
"number_observations": 4889,
"number_observations_unique": 646,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 39.580
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.920,3.670],
"number_observations": 4275,
"number_observations_unique": 571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 44.450
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.240,3.920],
"number_observations": 4173,
"number_observations_unique": 558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 51.730
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.640,4.240],
"number_observations": 3777,
"number_observations_unique": 504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 57.630
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [5.190,4.640],
"number_observations": 3414,
"number_observations_unique": 465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 57.670
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [5.990,5.190],
"number_observations": 3026,
"number_observations_unique": 413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 55.310
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [7.340,5.990],
"number_observations": 2571,
"number_observations_unique": 355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 54.500
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [10.380,7.340],
"number_observations": 1891,
"number_observations_unique": 268,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 59.800
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [38.5,10.380],
"number_observations": 960,
"number_observations_unique": 154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 59.180
},
{
"type": "Completeness",
"value": 95.100
}
]
}
]
}