Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f214e48c07cb7bc56563bf4e49c37914",
"space_group_name": "P 21 2 21",
"unit_cell": {
"a": 34.85,
"b": 52.03,
"c": 108.61,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97857],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.700],
"number_observations_unique": 22536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 19.480
},
{
"type": "Completeness",
"value": 99.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.700],
"number_observations": 8954,
"number_observations_unique": 1665,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.424
},
{
"type": "I/SigI",
"value": 3.920
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.790,1.740],
"number_observations": 9473,
"number_observations_unique": 1579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.348
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.840,1.790],
"number_observations": 9422,
"number_observations_unique": 1557,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.266
},
{
"type": "I/SigI",
"value": 6.690
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.900,1.840],
"number_observations": 9097,
"number_observations_unique": 1499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "I/SigI",
"value": 7.970
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.960,1.900],
"number_observations": 8799,
"number_observations_unique": 1454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 10.990
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.030,1.960],
"number_observations": 8590,
"number_observations_unique": 1415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 12.460
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.110,2.030],
"number_observations": 8297,
"number_observations_unique": 1371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 16.110
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.190,2.110],
"number_observations": 8019,
"number_observations_unique": 1321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 18.770
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.290,2.190],
"number_observations": 7611,
"number_observations_unique": 1260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 20.170
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.400,2.290],
"number_observations": 7394,
"number_observations_unique": 1226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 22.310
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.530,2.400],
"number_observations": 6998,
"number_observations_unique": 1158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 24.710
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.690,2.530],
"number_observations": 6679,
"number_observations_unique": 1107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 27.290
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.870,2.690],
"number_observations": 6184,
"number_observations_unique": 1037,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 29.840
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.100,2.870],
"number_observations": 5790,
"number_observations_unique": 978,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 33.170
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.400,3.100],
"number_observations": 5252,
"number_observations_unique": 897,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 35.600
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.800,3.400],
"number_observations": 4761,
"number_observations_unique": 833,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 37.660
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.390,3.800],
"number_observations": 4123,
"number_observations_unique": 737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 39.190
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [5.380,4.390],
"number_observations": 3414,
"number_observations_unique": 624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 38.730
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [7.600,5.380],
"number_observations": 2658,
"number_observations_unique": 510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 37.470
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [50.0,7.600],
"number_observations": 1334,
"number_observations_unique": 308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 35.670
},
{
"type": "Completeness",
"value": 97.500
}
]
}
]
}