Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5e85488f281394a8454fd8a5da2858bc",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 34.056,
"b": 182.222,
"c": 112.440,
"alpha": 90.00,
"beta": 98.69,
"gamma": 90.00
},
"wavelengths": [0.97914,0.97941,0.96410],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.200],
"number_observations_unique": 67587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 14.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.240,2.200],
"number_observations_unique": 3029,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.630
},
{
"type": "Completeness",
"value": 88.500
},
{
"type": "Redundancy",
"value": 9.900
}
]
},
{
"resolution_limits": [2.280,2.240],
"number_observations_unique": 3234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.591
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 10.800
}
]
},
{
"resolution_limits": [2.320,2.280],
"number_observations_unique": 3237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.496
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 12.100
}
]
},
{
"resolution_limits": [2.370,2.320],
"number_observations_unique": 3403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.429
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 14.200
}
]
},
{
"resolution_limits": [2.420,2.370],
"number_observations_unique": 3468,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.382
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.700
}
]
},
{
"resolution_limits": [2.480,2.420],
"number_observations_unique": 3344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.322
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.800
}
]
},
{
"resolution_limits": [2.540,2.480],
"number_observations_unique": 3403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.292
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.800
}
]
},
{
"resolution_limits": [2.610,2.540],
"number_observations_unique": 3494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.258
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.900
}
]
},
{
"resolution_limits": [2.690,2.610],
"number_observations_unique": 3319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.000
}
]
},
{
"resolution_limits": [2.770,2.690],
"number_observations_unique": 3415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.000
}
]
},
{
"resolution_limits": [2.870,2.770],
"number_observations_unique": 3428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.200
}
]
},
{
"resolution_limits": [2.990,2.870],
"number_observations_unique": 3392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.300
}
]
},
{
"resolution_limits": [3.120,2.990],
"number_observations_unique": 3449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.300
}
]
},
{
"resolution_limits": [3.290,3.120],
"number_observations_unique": 3355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.300
}
]
},
{
"resolution_limits": [3.490,3.290],
"number_observations_unique": 3457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.400
}
]
},
{
"resolution_limits": [3.760,3.490],
"number_observations_unique": 3427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.500
}
]
},
{
"resolution_limits": [4.140,3.760],
"number_observations_unique": 3393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.400
}
]
},
{
"resolution_limits": [4.740,4.140],
"number_observations_unique": 3437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.600
}
]
},
{
"resolution_limits": [5.970,4.740],
"number_observations_unique": 3416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.000
}
]
},
{
"resolution_limits": [50.000,5.970],
"number_observations_unique": 3487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.300
}
]
}
]
}