Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "32f10eca892a9eea72f769a4e07b16f2",
"space_group_name": "I 4 2 2",
"unit_cell": {
"a": 121.264,
"b": 121.264,
"c": 153.873,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97925,0.97908,0.89194],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.89,2.26],
"number_observations_unique": 27157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.38,2.26],
"number_observations": 3902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.66
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [2.53,2.38],
"number_observations": 3698,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.561
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [2.70,2.53],
"number_observations": 3480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.434
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.92,2.70],
"number_observations": 3257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.286
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [3.20,2.92],
"number_observations": 3015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [3.57,3.20],
"number_observations": 2730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [4.13,3.57],
"number_observations": 2419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [5.05,4.13],
"number_observations": 2079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [7.15,5.05],
"number_observations": 1642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [28.89,7.15],
"number_observations": 935,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 16.400
},
{
"type": "Redundancy",
"value": 6.100
}
]
}
]
}