Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d7bd71a634ad7fb620698ecf9ab071ed",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 50.937,
"b": 57.750,
"c": 61.577,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.90000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.500],
"number_observations_unique": 27531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 15.100
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.500],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.440
},
{
"type": "Completeness",
"value": 78.500
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [1.620,1.550],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.338
},
{
"type": "Completeness",
"value": 89.000
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [1.690,1.620],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "Completeness",
"value": 90.500
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [1.780,1.690],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [1.890,1.780],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.040,1.890],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.240,2.040],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.560,2.240],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [3.230,2.560],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [50.000,3.230],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 6.800
}
]
}
]
}