Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "29bc7a52398d88c91800c3fab997dd79",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 68.059,
"b": 71.821,
"c": 128.610,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.560],
"number_observations_unique": 89165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.560],
"number_observations_unique": 4373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.429
},
{
"type": "I/SigI",
"value": 3.71
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [1.620,1.590],
"number_observations_unique": 4391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.391
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [1.650,1.620],
"number_observations_unique": 4375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.353
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [1.680,1.650],
"number_observations_unique": 4346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.308
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [1.720,1.680],
"number_observations_unique": 4381,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [1.760,1.720],
"number_observations_unique": 4392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [1.800,1.760],
"number_observations_unique": 4399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [1.850,1.800],
"number_observations_unique": 4413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [1.900,1.850],
"number_observations_unique": 4436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [1.970,1.900],
"number_observations_unique": 4437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [2.040,1.970],
"number_observations_unique": 4444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [2.120,2.040],
"number_observations_unique": 4461,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [2.210,2.120],
"number_observations_unique": 4464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [2.330,2.210],
"number_observations_unique": 4498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [2.480,2.330],
"number_observations_unique": 4486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [2.670,2.480],
"number_observations_unique": 4503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [2.940,2.670],
"number_observations_unique": 4493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [3.360,2.940],
"number_observations_unique": 4547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [4.230,3.360],
"number_observations_unique": 4582,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [50.000,4.230],
"number_observations_unique": 4744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.700
}
]
}
]
}