Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b07014d61f0a8ae9831703c325b4c818",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 114.751,
"b": 164.541,
"c": 47.460,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [94.072,1.500],
"number_observations_unique": 141715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 14.7
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 6.1
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.500],
"number_observations_unique": 12503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "Completeness",
"value": 87.8
},
{
"type": "Redundancy",
"value": 3.1
}
]
},
{
"resolution_limits": [1.620,1.550],
"number_observations_unique": 13887,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "Completeness",
"value": 97.3
},
{
"type": "Redundancy",
"value": 4.1
}
]
},
{
"resolution_limits": [1.690,1.620],
"number_observations_unique": 14296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 5.8
}
]
},
{
"resolution_limits": [1.780,1.690],
"number_observations_unique": 14210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.0
}
]
},
{
"resolution_limits": [1.890,1.780],
"number_observations_unique": 14385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.0
}
]
},
{
"resolution_limits": [2.040,1.890],
"number_observations_unique": 14336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.1
}
]
},
{
"resolution_limits": [2.240,2.040],
"number_observations_unique": 14370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.9
}
]
},
{
"resolution_limits": [2.560,2.240],
"number_observations_unique": 14450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.9
}
]
},
{
"resolution_limits": [3.230,2.560],
"number_observations_unique": 14575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.7
}
]
},
{
"resolution_limits": [50.000,3.230],
"number_observations_unique": 14703,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "Completeness",
"value": 97.4
},
{
"type": "Redundancy",
"value": 5.9
}
]
}
]
}