Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c9404f70273412225f9ef93fd837543a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 53.710,
"b": 90.642,
"c": 129.165,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97940],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,2.53],
"number_observations_unique": 21818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.62,2.53],
"number_observations_unique": 2130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.993
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 8.20
}
]
},
{
"resolution_limits": [2.73,2.62],
"number_observations_unique": 2146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.771
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 8.70
}
]
},
{
"resolution_limits": [2.85,2.73],
"number_observations_unique": 2156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.583
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 8.90
}
]
},
{
"resolution_limits": [3.00,2.85],
"number_observations_unique": 2149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.441
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 8.90
}
]
},
{
"resolution_limits": [3.19,3.00],
"number_observations_unique": 2149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.326
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.00
}
]
},
{
"resolution_limits": [3.43,3.19],
"number_observations_unique": 2149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.00
}
]
},
{
"resolution_limits": [3.78,3.43],
"number_observations_unique": 2182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.00
}
]
},
{
"resolution_limits": [4.33,3.78],
"number_observations_unique": 2182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.20
}
]
},
{
"resolution_limits": [5.45,4.33],
"number_observations_unique": 2232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.10
}
]
},
{
"resolution_limits": [50.00,5.45],
"number_observations_unique": 2343,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 8.40
}
]
}
]
}