{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "59e05c0598d33e0652c02aacd749918d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 41.81,
"b": 47.92,
"c": 57.80,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54187],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.8,1.860],
"number_observations_unique": 8320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 12.440
},
{
"type": "Completeness",
"value": 81.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.910,1.860],
"number_observations": 1037,
"number_observations_unique": 449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.345
},
{
"type": "I/SigI",
"value": 3.440
},
{
"type": "Completeness",
"value": 60.200
}
]
},
{
"resolution_limits": [1.960,1.910],
"number_observations": 1586,
"number_observations_unique": 597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.589
},
{
"type": "I/SigI",
"value": 1.920
},
{
"type": "Completeness",
"value": 85.400
}
]
},
{
"resolution_limits": [2.020,1.960],
"number_observations": 1558,
"number_observations_unique": 579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.379
},
{
"type": "I/SigI",
"value": 2.610
},
{
"type": "Completeness",
"value": 83.300
}
]
},
{
"resolution_limits": [2.080,2.020],
"number_observations": 1563,
"number_observations_unique": 587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.329
},
{
"type": "I/SigI",
"value": 3.280
},
{
"type": "Completeness",
"value": 83.700
}
]
},
{
"resolution_limits": [2.150,2.080],
"number_observations": 1526,
"number_observations_unique": 560,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "I/SigI",
"value": 4.340
},
{
"type": "Completeness",
"value": 85.800
}
]
},
{
"resolution_limits": [2.230,2.150],
"number_observations": 1449,
"number_observations_unique": 531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "I/SigI",
"value": 5.060
},
{
"type": "Completeness",
"value": 83.200
}
]
},
{
"resolution_limits": [2.310,2.230],
"number_observations": 1381,
"number_observations_unique": 512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 6.150
},
{
"type": "Completeness",
"value": 83.100
}
]
},
{
"resolution_limits": [2.410,2.310],
"number_observations": 1357,
"number_observations_unique": 498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "I/SigI",
"value": 6.630
},
{
"type": "Completeness",
"value": 83.800
}
]
},
{
"resolution_limits": [2.510,2.410],
"number_observations": 1304,
"number_observations_unique": 484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 7.860
},
{
"type": "Completeness",
"value": 84.300
}
]
},
{
"resolution_limits": [2.630,2.510],
"number_observations": 1284,
"number_observations_unique": 472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 10.290
},
{
"type": "Completeness",
"value": 84.900
}
]
},
{
"resolution_limits": [2.780,2.630],
"number_observations": 1193,
"number_observations_unique": 442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 12.710
},
{
"type": "Completeness",
"value": 84.500
}
]
},
{
"resolution_limits": [2.950,2.780],
"number_observations": 1126,
"number_observations_unique": 418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 16.320
},
{
"type": "Completeness",
"value": 85.800
}
]
},
{
"resolution_limits": [3.150,2.950],
"number_observations": 1137,
"number_observations_unique": 415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 18.640
},
{
"type": "Completeness",
"value": 85.400
}
]
},
{
"resolution_limits": [3.400,3.150],
"number_observations": 1030,
"number_observations_unique": 375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 23.600
},
{
"type": "Completeness",
"value": 83.900
}
]
},
{
"resolution_limits": [3.730,3.400],
"number_observations": 900,
"number_observations_unique": 333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 28.270
},
{
"type": "Completeness",
"value": 82.200
}
]
},
{
"resolution_limits": [4.170,3.730],
"number_observations": 842,
"number_observations_unique": 302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 33.540
},
{
"type": "Completeness",
"value": 80.500
}
]
},
{
"resolution_limits": [4.810,4.170],
"number_observations": 734,
"number_observations_unique": 268,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 37.970
},
{
"type": "Completeness",
"value": 80.000
}
]
},
{
"resolution_limits": [5.890,4.810],
"number_observations": 634,
"number_observations_unique": 229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 37.010
},
{
"type": "Completeness",
"value": 79.500
}
]
},
{
"resolution_limits": [8.330,5.890],
"number_observations": 500,
"number_observations_unique": 178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 35.120
},
{
"type": "Completeness",
"value": 75.400
}
]
}
]
}
|