Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5a4c9286f931cf4ac6f1562b0533d81e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 60.02,
"b": 71.86,
"c": 201.60,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.950],
"number_observations_unique": 64412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "I/SigI",
"value": 9.820
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.1
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.529
},
{
"type": "I/SigI",
"value": 3.670
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.060,2.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.426
},
{
"type": "I/SigI",
"value": 4.420
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.120,2.060],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.353
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.180,2.120],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.308
},
{
"type": "I/SigI",
"value": 5.760
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.250,2.180],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "I/SigI",
"value": 6.640
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.330,2.250],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.240
},
{
"type": "I/SigI",
"value": 7.190
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.420,2.330],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "I/SigI",
"value": 8.030
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.520,2.420],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "I/SigI",
"value": 9.060
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.630,2.520],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "I/SigI",
"value": 9.930
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.760,2.630],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "I/SigI",
"value": 11.030
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.910,2.760],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 11.910
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [3.080,2.910],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 13.090
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [3.300,3.080],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 14.210
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [3.560,3.300],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 15.230
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [3.900,3.560],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 16.470
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [4.360,3.900],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 16.810
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [5.030,4.360],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 17.130
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [6.170,5.030],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 16.760
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [8.720,6.170],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 17.030
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [50.0,8.720],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 16.550
},
{
"type": "Completeness",
"value": 97.100
}
]
}
]
}