Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b1d033377a9404c2ac76608590de95d8",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 58.97,
"b": 187.40,
"c": 127.64,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.500],
"number_observations_unique": 24828,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 26.050
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.2
}
]
},
"refln_shells": [
{
"resolution_limits": [2.570,2.500],
"number_observations": 13749,
"number_observations_unique": 1838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.544
},
{
"type": "I/SigI",
"value": 4.120
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.640,2.570],
"number_observations": 13075,
"number_observations_unique": 1755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.433
},
{
"type": "I/SigI",
"value": 4.970
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.710,2.640],
"number_observations": 12737,
"number_observations_unique": 1711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.370
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [2.800,2.710],
"number_observations": 12535,
"number_observations_unique": 1681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.286
},
{
"type": "I/SigI",
"value": 7.430
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.890,2.800],
"number_observations": 11980,
"number_observations_unique": 1613,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "I/SigI",
"value": 9.160
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.990,2.890],
"number_observations": 11647,
"number_observations_unique": 1577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 12.230
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.100,2.990],
"number_observations": 11115,
"number_observations_unique": 1507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 15.060
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.230,3.100],
"number_observations": 10746,
"number_observations_unique": 1462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 19.050
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [3.370,3.230],
"number_observations": 10271,
"number_observations_unique": 1408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 23.240
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [3.540,3.370],
"number_observations": 9755,
"number_observations_unique": 1339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 29.690
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.730,3.540],
"number_observations": 9308,
"number_observations_unique": 1299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 36.400
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.950,3.730],
"number_observations": 8752,
"number_observations_unique": 1222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 42.180
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [4.230,3.950],
"number_observations": 8094,
"number_observations_unique": 1150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 47.420
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [4.560,4.230],
"number_observations": 7505,
"number_observations_unique": 1071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 53.230
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [5.000,4.560],
"number_observations": 6832,
"number_observations_unique": 986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 54.360
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [5.590,5.000],
"number_observations": 6189,
"number_observations_unique": 900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 52.740
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [6.460,5.590],
"number_observations": 5396,
"number_observations_unique": 813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 52.200
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [7.910,6.460],
"number_observations": 4587,
"number_observations_unique": 679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 57.660
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [11.180,7.910],
"number_observations": 3699,
"number_observations_unique": 545,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 70.150
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [50,11.180],
"number_observations": 1708,
"number_observations_unique": 272,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 72.030
},
{
"type": "Completeness",
"value": 81.000
}
]
}
]
}