Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "36f689cf01ebe9ffaa8c05fd027ec618",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 63.87,
"b": 228.46,
"c": 135.57,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.07817],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.830],
"number_observations_unique": 74893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 85.200
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.830],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.516
},
{
"type": "Completeness",
"value": 39.700
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [1.900,1.860],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.551
},
{
"type": "Completeness",
"value": 52.100
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [1.930,1.900],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.520
},
{
"type": "Completeness",
"value": 59.700
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [1.970,1.930],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.430
},
{
"type": "Completeness",
"value": 65.100
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [2.010,1.970],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.361
},
{
"type": "Completeness",
"value": 69.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.060,2.010],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.303
},
{
"type": "Completeness",
"value": 72.900
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [2.110,2.060],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "Completeness",
"value": 78.100
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [2.170,2.110],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "Completeness",
"value": 84.100
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [2.230,2.170],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "Completeness",
"value": 89.800
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [2.310,2.230],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [2.390,2.310],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.480,2.390],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [2.600,2.480],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [2.730,2.600],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [2.900,2.730],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [3.130,2.900],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [3.440,3.130],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [3.940,3.440],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [4.970,3.940],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [50.000,4.970],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.700
}
]
}
]
}