Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "48b4d3a2c7c7c51af56eb411bc141789",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 59.075,
"b": 190.594,
"c": 42.721,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.000,2.300],
"number_observations_unique": 20556,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 21.900
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 13.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations_unique": 1786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.328
},
{
"type": "Completeness",
"value": 80.700
},
{
"type": "Redundancy",
"value": 10.500
}
]
},
{
"resolution_limits": [2.480,2.380],
"number_observations_unique": 1519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.277
},
{
"type": "Completeness",
"value": 69.600
},
{
"type": "Redundancy",
"value": 12.100
}
]
},
{
"resolution_limits": [2.590,2.480],
"number_observations_unique": 2041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.281
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 11.900
}
]
},
{
"resolution_limits": [2.730,2.590],
"number_observations_unique": 2029,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.424
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 11.300
}
]
},
{
"resolution_limits": [2.900,2.730],
"number_observations_unique": 2166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 14.000
}
]
},
{
"resolution_limits": [3.120,2.900],
"number_observations_unique": 2208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 15.100
}
]
},
{
"resolution_limits": [3.440,3.120],
"number_observations_unique": 2214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 15.000
}
]
},
{
"resolution_limits": [3.930,3.440],
"number_observations_unique": 2035,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "Completeness",
"value": 89.600
},
{
"type": "Redundancy",
"value": 10.900
}
]
},
{
"resolution_limits": [4.950,3.930],
"number_observations_unique": 2244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 15.600
}
]
},
{
"resolution_limits": [45.000,4.950],
"number_observations_unique": 2314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 15.700
}
]
}
]
}