Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d9a917c72723b84726a3db778d8a44b5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 76.88,
"b": 85.10,
"c": 245.42,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97934],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.850],
"number_observations_unique": 137558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 13.770
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.2
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.850],
"number_observations": 55170,
"number_observations_unique": 9993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.444
},
{
"type": "I/SigI",
"value": 3.620
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [1.950,1.900],
"number_observations": 54927,
"number_observations_unique": 9825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.367
},
{
"type": "I/SigI",
"value": 4.430
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.010,1.950],
"number_observations": 54476,
"number_observations_unique": 9530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.306
},
{
"type": "I/SigI",
"value": 5.270
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.070,2.010],
"number_observations": 53994,
"number_observations_unique": 9303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.260
},
{
"type": "I/SigI",
"value": 6.290
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.140,2.070],
"number_observations": 52705,
"number_observations_unique": 8974,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "I/SigI",
"value": 7.610
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.210,2.140],
"number_observations": 51988,
"number_observations_unique": 8704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "I/SigI",
"value": 8.870
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.290,2.210],
"number_observations": 50575,
"number_observations_unique": 8438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 10.020
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.390,2.290],
"number_observations": 49921,
"number_observations_unique": 8130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 11.720
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.490,2.390],
"number_observations": 48638,
"number_observations_unique": 7801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 12.820
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.620,2.490],
"number_observations": 46939,
"number_observations_unique": 7403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 14.440
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.760,2.620],
"number_observations": 45950,
"number_observations_unique": 7164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 16.260
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.930,2.760],
"number_observations": 43987,
"number_observations_unique": 6737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 18.280
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [3.130,2.930],
"number_observations": 41949,
"number_observations_unique": 6312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 20.850
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.380,3.130],
"number_observations": 39982,
"number_observations_unique": 5933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 23.260
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.700,3.380],
"number_observations": 37376,
"number_observations_unique": 5484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 26.390
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [4.140,3.700],
"number_observations": 34601,
"number_observations_unique": 4955,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 28.290
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [4.780,4.140],
"number_observations": 30988,
"number_observations_unique": 4433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 29.980
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [5.850,4.780],
"number_observations": 26517,
"number_observations_unique": 3760,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 29.080
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [8.270,5.850],
"number_observations": 20843,
"number_observations_unique": 2969,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 28.850
},
{
"type": "Completeness",
"value": 99.900
}
]
}
]
}