Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b0a958cc3e66b0ef1766d03482e20358",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 211.324,
"b": 299.649,
"c": 574.241,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,3.100],
"number_observations_unique": 323283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
"refln_shells": [
{
"resolution_limits": [3.21,3.10],
"number_observations_unique": 32092,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.927
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.70
}
]
},
{
"resolution_limits": [3.34,3.21],
"number_observations_unique": 32097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.672
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.60
}
]
},
{
"resolution_limits": [3.49,3.34],
"number_observations_unique": 32152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.496
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.70
}
]
},
{
"resolution_limits": [3.68,3.49],
"number_observations_unique": 32176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.362
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.70
}
]
},
{
"resolution_limits": [3.91,3.68],
"number_observations_unique": 32221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.255
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.70
}
]
},
{
"resolution_limits": [4.21,3.91],
"number_observations_unique": 32219,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.60
}
]
},
{
"resolution_limits": [4.63,4.21],
"number_observations_unique": 32259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.60
}
]
},
{
"resolution_limits": [5.30,4.63],
"number_observations_unique": 32403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.60
}
]
},
{
"resolution_limits": [6.67,5.30],
"number_observations_unique": 32533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [50.00,6.67],
"number_observations_unique": 33131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 7.30
}
]
}
]
}