Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "59ca1aba36baf93bd2a309bab892577a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 60.875,
"b": 78.554,
"c": 53.885,
"alpha": 90.00,
"beta": 116.56,
"gamma": 90.00
},
"wavelengths": [1.07200],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.2,1.900],
"number_observations_unique": 17719,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.900],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.812
},
{
"type": "I/SigI",
"value": 3.21
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [1.970,1.930],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.665
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [2.010,1.970],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.518
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [2.050,2.010],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.469
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [2.090,2.050],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.357
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [2.140,2.090],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [2.190,2.140],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [2.250,2.190],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [2.320,2.250],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [2.390,2.320],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [2.480,2.390],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [2.580,2.480],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [2.700,2.580],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [2.840,2.700],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [3.020,2.840],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [3.250,3.020],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [3.580,3.250],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [4.090,3.580],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [5.150,4.090],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [40.0,5.150],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 90.900
},
{
"type": "Redundancy",
"value": 4.900
}
]
}
]
}