Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cc6d5130f4d33e040a8696fd2c4094d7",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 109.60,
"b": 254.72,
"c": 82.05,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.1970,2.250],
"number_observations_unique": 109242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 14.520
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.310,2.250],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.484
},
{
"type": "I/SigI",
"value": 3.070
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.0
}
]
},
{
"resolution_limits": [2.370,2.310],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.425
},
{
"type": "I/SigI",
"value": 3.540
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.440,2.370],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.377
},
{
"type": "I/SigI",
"value": 3.950
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.520,2.440],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.295
},
{
"type": "I/SigI",
"value": 5.020
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.600,2.520],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "I/SigI",
"value": 6.160
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.690,2.600],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "I/SigI",
"value": 7.110
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.790,2.690],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 8.460
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.900,2.790],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 10.510
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [3.030,2.900],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [3.180,3.030],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 15.450
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [3.350,3.180],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 18.390
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.560,3.350],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 22.090
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [3.800,3.560],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 25.130
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [4.110,3.800],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 28.810
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [4.500,4.110],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 31.380
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [5.030,4.500],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 32.780
},
{
"type": "Completeness",
"value": 98.900
}
]
},
{
"resolution_limits": [5.810,5.030],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 31.920
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [7.120,5.810],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 31.430
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [10.060,7.120],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 35.370
},
{
"type": "Completeness",
"value": 97.800
}
]
},
{
"resolution_limits": [46.1970,10.060],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 33.810
},
{
"type": "Completeness",
"value": 92.300
}
]
}
]
}