Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "07e66282b307e0d3b0a4d88c807c7677",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 51.181,
"b": 104.548,
"c": 49.441,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.80000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.0,1.900],
"number_observations_unique": 21361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 16.8
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 10.9
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.900],
"number_observations_unique": 2106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 4.10
}
]
},
{
"resolution_limits": [2.050,1.970],
"number_observations_unique": 2110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.30
}
]
},
{
"resolution_limits": [2.140,2.050],
"number_observations_unique": 2134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.50
}
]
},
{
"resolution_limits": [2.250,2.140],
"number_observations_unique": 2120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.20
}
]
},
{
"resolution_limits": [2.390,2.250],
"number_observations_unique": 2128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.60
}
]
},
{
"resolution_limits": [2.580,2.390],
"number_observations_unique": 2165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.00
}
]
},
{
"resolution_limits": [2.840,2.580],
"number_observations_unique": 2157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.10
}
]
},
{
"resolution_limits": [3.250,2.841],
"number_observations_unique": 2174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.90
}
]
},
{
"resolution_limits": [4.080,3.252],
"number_observations_unique": 2178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 12.00
}
]
},
{
"resolution_limits": [20.000,4.082],
"number_observations_unique": 2089,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "Completeness",
"value": 89.8
},
{
"type": "Redundancy",
"value": 9.80
}
]
}
]
}