Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5f5793063e24877c598f1a01c3a0edd5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 46.305,
"b": 82.492,
"c": 76.577,
"alpha": 90.00,
"beta": 98.59,
"gamma": 90.00
},
"wavelengths": [1.54700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100.000,1.5990],
"number_observations_unique": 70021,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.333
},
{
"type": "Completeness",
"value": 83.400
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [1.660,1.630],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.286
},
{
"type": "Completeness",
"value": 85.200
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [1.690,1.660],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "Completeness",
"value": 86.100
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [1.720,1.690],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "Completeness",
"value": 86.900
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [1.760,1.720],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "Completeness",
"value": 87.700
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [1.800,1.760],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "Completeness",
"value": 87.700
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [1.850,1.800],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "Completeness",
"value": 89.000
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [1.900,1.850],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "Completeness",
"value": 89.000
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [1.950,1.900],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "Completeness",
"value": 90.500
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [2.020,1.950],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [2.090,2.020],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [2.170,2.090],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [2.270,2.170],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [2.390,2.270],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
{
"resolution_limits": [2.540,2.390],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.400
}
]
},
{
"resolution_limits": [2.740,2.540],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.600
}
]
},
{
"resolution_limits": [3.010,2.740],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.100
}
]
},
{
"resolution_limits": [3.450,3.010],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.200
}
]
},
{
"resolution_limits": [4.340,3.450],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.400
}
]
},
{
"resolution_limits": [100.000,4.340],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.700
}
]
}
]
}