Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b4db70b842efb490db8e2479fff05fbe",
"space_group_name": "P 43 2 2",
"unit_cell": {
"a": 43.649,
"b": 43.649,
"c": 207.449,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97200],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.450],
"number_observations_unique": 8008,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 23.400
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 10.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.450],
"number_observations_unique": 378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.285
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.600
}
]
},
{
"resolution_limits": [2.540,2.490],
"number_observations_unique": 391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.293
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.900
}
]
},
{
"resolution_limits": [2.590,2.540],
"number_observations_unique": 413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.600
}
]
},
{
"resolution_limits": [2.640,2.590],
"number_observations_unique": 370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 11.400
}
]
},
{
"resolution_limits": [2.700,2.640],
"number_observations_unique": 402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.400
}
]
},
{
"resolution_limits": [2.760,2.700],
"number_observations_unique": 390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
{
"resolution_limits": [2.830,2.760],
"number_observations_unique": 398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
{
"resolution_limits": [2.900,2.830],
"number_observations_unique": 397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.000
}
]
},
{
"resolution_limits": [2.990,2.900],
"number_observations_unique": 388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 10.800
}
]
},
{
"resolution_limits": [3.090,2.990],
"number_observations_unique": 410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.500
}
]
},
{
"resolution_limits": [3.200,3.090],
"number_observations_unique": 394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.500
}
]
},
{
"resolution_limits": [3.320,3.200],
"number_observations_unique": 403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.800
}
]
},
{
"resolution_limits": [3.480,3.320],
"number_observations_unique": 408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.200
}
]
},
{
"resolution_limits": [3.660,3.480],
"number_observations_unique": 415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.100
}
]
},
{
"resolution_limits": [3.890,3.660],
"number_observations_unique": 397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 9.100
}
]
},
{
"resolution_limits": [4.190,3.890],
"number_observations_unique": 394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 9.300
}
]
},
{
"resolution_limits": [4.610,4.190],
"number_observations_unique": 407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 9.200
}
]
},
{
"resolution_limits": [5.280,4.610],
"number_observations_unique": 407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 9.100
}
]
},
{
"resolution_limits": [6.650,5.280],
"number_observations_unique": 437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
{
"resolution_limits": [50.000,6.650],
"number_observations_unique": 409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "Completeness",
"value": 80.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
}
]
}