Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "54356607ce73407a8bd8d1e9ceedf84e",
"space_group_name": "I 21 3",
"unit_cell": {
"a": 218.904,
"b": 218.904,
"c": 218.904,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.640],
"number_observations_unique": 210759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.670,1.640],
"number_observations_unique": 10488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.844
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [1.700,1.670],
"number_observations_unique": 10423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.775
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [1.730,1.700],
"number_observations_unique": 10508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.716
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [1.770,1.730],
"number_observations_unique": 10493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.579
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [1.810,1.770],
"number_observations_unique": 10501,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.498
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [1.850,1.810],
"number_observations_unique": 10462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.433
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [1.890,1.850],
"number_observations_unique": 10487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.371
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [1.940,1.890],
"number_observations_unique": 10512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.301
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [2.000,1.940],
"number_observations_unique": 10533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.070,2.000],
"number_observations_unique": 10504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [2.140,2.070],
"number_observations_unique": 10516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [2.230,2.140],
"number_observations_unique": 10539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [2.330,2.230],
"number_observations_unique": 10528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [2.450,2.330],
"number_observations_unique": 10529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [2.600,2.450],
"number_observations_unique": 10591,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [2.800,2.600],
"number_observations_unique": 10531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [3.090,2.800],
"number_observations_unique": 10566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [3.530,3.090],
"number_observations_unique": 10614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [4.450,3.530],
"number_observations_unique": 10623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [50.000,4.450],
"number_observations_unique": 10811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.900
}
]
}
]
}