Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "23c5cd74faf0e6d93c8281dee2137bc9",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 112.62,
"b": 150.07,
"c": 345.91,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97650],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,2.000],
"number_observations_unique": 195248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 14.620
},
{
"type": "Completeness",
"value": 99.300
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 65335,
"number_observations_unique": 14362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.482
},
{
"type": "I/SigI",
"value": 3.130
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.110,2.050],
"number_observations": 63561,
"number_observations_unique": 13971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.407
},
{
"type": "I/SigI",
"value": 3.730
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.170,2.110],
"number_observations": 61886,
"number_observations_unique": 13655,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.343
},
{
"type": "I/SigI",
"value": 4.460
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.240,2.170],
"number_observations": 60090,
"number_observations_unique": 13272,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.287
},
{
"type": "I/SigI",
"value": 5.290
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.310,2.240],
"number_observations": 57612,
"number_observations_unique": 12810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.242
},
{
"type": "I/SigI",
"value": 6.280
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.390,2.310],
"number_observations": 55670,
"number_observations_unique": 12429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.480,2.390],
"number_observations": 53630,
"number_observations_unique": 12009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "I/SigI",
"value": 8.130
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.580,2.480],
"number_observations": 51589,
"number_observations_unique": 11543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 9.570
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.700,2.580],
"number_observations": 49181,
"number_observations_unique": 11085,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 10.910
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [2.830,2.700],
"number_observations": 47100,
"number_observations_unique": 10619,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.980,2.830],
"number_observations": 44270,
"number_observations_unique": 10050,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 15.090
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [3.160,2.980],
"number_observations": 41759,
"number_observations_unique": 9532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 17.860
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [3.380,3.160],
"number_observations": 38934,
"number_observations_unique": 8966,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 22.380
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [3.650,3.380],
"number_observations": 35551,
"number_observations_unique": 8309,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 28.630
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [4.000,3.650],
"number_observations": 32545,
"number_observations_unique": 7681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 32.200
},
{
"type": "Completeness",
"value": 98.600
}
]
},
{
"resolution_limits": [4.470,4.000],
"number_observations": 29516,
"number_observations_unique": 6992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 37.730
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [5.160,4.470],
"number_observations": 26227,
"number_observations_unique": 6194,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 39.300
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [6.320,5.160],
"number_observations": 23348,
"number_observations_unique": 5284,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 32.420
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [8.940,6.320],
"number_observations": 18378,
"number_observations_unique": 4133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 41.820
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [50.0,8.940],
"number_observations": 9998,
"number_observations_unique": 2352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 57.180
},
{
"type": "Completeness",
"value": 97.800
}
]
}
]
}