Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "74c991f6253aab355ca2e4f237da02fb",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 42.12,
"b": 48.56,
"c": 61.60,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.135,1.500],
"number_observations_unique": 20642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 27.780
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.500],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.354
},
{
"type": "I/SigI",
"value": 5.430
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.3
}
]
},
{
"resolution_limits": [1.580,1.540],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.307
},
{
"type": "I/SigI",
"value": 6.310
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 7.3
}
]
},
{
"resolution_limits": [1.630,1.580],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.242
},
{
"type": "I/SigI",
"value": 8.190
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 7.3
}
]
},
{
"resolution_limits": [1.680,1.630],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "I/SigI",
"value": 9.980
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.3
}
]
},
{
"resolution_limits": [1.730,1.680],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "I/SigI",
"value": 12.180
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.3
}
]
},
{
"resolution_limits": [1.790,1.730],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "I/SigI",
"value": 14.450
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 7.3
}
]
},
{
"resolution_limits": [1.860,1.790],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 18.740
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 7.3
}
]
},
{
"resolution_limits": [1.940,1.860],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 23.370
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.2
}
]
},
{
"resolution_limits": [2.020,1.940],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 28.030
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.2
}
]
},
{
"resolution_limits": [2.120,2.020],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 33.810
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.1
}
]
},
{
"resolution_limits": [2.240,2.120],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 38.790
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.0
}
]
},
{
"resolution_limits": [2.370,2.240],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 41.650
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.0
}
]
},
{
"resolution_limits": [2.540,2.370],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 44.520
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.9
}
]
},
{
"resolution_limits": [2.740,2.540],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 48.840
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.0
}
]
},
{
"resolution_limits": [3.000,2.740],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 52.040
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.8
}
]
},
{
"resolution_limits": [3.350,3.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 55.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.8
}
]
},
{
"resolution_limits": [3.870,3.350],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 59.010
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.7
}
]
},
{
"resolution_limits": [4.740,3.870],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 60.970
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.7
}
]
},
{
"resolution_limits": [6.710,4.740],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 58.720
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.7
}
]
},
{
"resolution_limits": [100,6.710],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 54.670
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.6
}
]
}
]
}