Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7e193831364ed85d741a3509256279e9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.884,
"b": 64.161,
"c": 61.384,
"alpha": 90.00,
"beta": 98.14,
"gamma": 90.00
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.500],
"number_observations_unique": 104230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations_unique": 2988,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.938
},
{
"type": "Completeness",
"value": 55.600
},
{
"type": "Redundancy",
"value": 1.700
}
]
},
{
"resolution_limits": [1.550,1.530],
"number_observations_unique": 4283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.869
},
{
"type": "Completeness",
"value": 78.300
},
{
"type": "Redundancy",
"value": 1.900
}
]
},
{
"resolution_limits": [1.580,1.550],
"number_observations_unique": 4919,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.851
},
{
"type": "Completeness",
"value": 90.800
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [1.620,1.580],
"number_observations_unique": 5396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.775
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
{
"resolution_limits": [1.650,1.620],
"number_observations_unique": 5390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.672
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 2.200
}
]
},
{
"resolution_limits": [1.690,1.650],
"number_observations_unique": 5449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.514
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [1.730,1.690],
"number_observations_unique": 5428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.454
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [1.780,1.730],
"number_observations_unique": 5425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.351
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [1.830,1.780],
"number_observations_unique": 5397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.278
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [1.890,1.830],
"number_observations_unique": 5464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [1.960,1.890],
"number_observations_unique": 5433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [2.040,1.960],
"number_observations_unique": 5500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [2.130,2.040],
"number_observations_unique": 5436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [2.240,2.130],
"number_observations_unique": 5397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [2.380,2.240],
"number_observations_unique": 5439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [2.560,2.380],
"number_observations_unique": 5448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [2.820,2.560],
"number_observations_unique": 5404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [3.230,2.820],
"number_observations_unique": 5419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [4.070,3.230],
"number_observations_unique": 5388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [50.000,4.070],
"number_observations_unique": 5227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 2.400
}
]
}
]
}