Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3f360c475d08b1827344125d66a9b1a9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 64.112,
"b": 114.452,
"c": 67.663,
"alpha": 90.00,
"beta": 90.02,
"gamma": 90.00
},
"wavelengths": [0.91837,0.97932,0.97913],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.545,1.88],
"number_observations_unique": 77723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 9.610
},
{
"type": "Completeness",
"value": 98.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.880],
"number_observations": 28354,
"number_observations_unique": 7665,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.746
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Completeness",
"value": 93.500
}
]
},
{
"resolution_limits": [2.030,1.950],
"number_observations": 30169,
"number_observations_unique": 7846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.520
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Completeness",
"value": 98.100
}
]
},
{
"resolution_limits": [2.120,2.030],
"number_observations": 28965,
"number_observations_unique": 7548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.364
},
{
"type": "I/SigI",
"value": 3.8
},
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [2.230,2.120],
"number_observations": 29132,
"number_observations_unique": 7583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.283
},
{
"type": "I/SigI",
"value": 4.8
},
{
"type": "Completeness",
"value": 98.200
}
]
},
{
"resolution_limits": [2.370,2.230],
"number_observations": 29866,
"number_observations_unique": 7784,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "I/SigI",
"value": 5.8
},
{
"type": "Completeness",
"value": 98.600
}
]
},
{
"resolution_limits": [2.550,2.370],
"number_observations": 29375,
"number_observations_unique": 7665,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 7.3
},
{
"type": "Completeness",
"value": 98.600
}
]
},
{
"resolution_limits": [2.810,2.550],
"number_observations": 30416,
"number_observations_unique": 7959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 9.5
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [3.210,2.810],
"number_observations": 29569,
"number_observations_unique": 7764,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 13.8
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [4.040,3.210],
"number_observations": 29606,
"number_observations_unique": 7852,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 20.6
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [46.545,4.040],
"number_observations": 30062,
"number_observations_unique": 8026,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 24.7
},
{
"type": "Completeness",
"value": 99.100
}
]
}
]
}