Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "72976b56b8c50d55ad98c239dcf5c6e7",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 125.08,
"b": 125.08,
"c": 97.67,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.01630,0.97980],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.480,1.79],
"number_observations_unique": 72488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 12.560
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 7.4
}
]
},
"refln_shells": [
{
"resolution_limits": [1.86,1.79],
"number_observations": 85045,
"number_observations_unique": 11630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.01146
},
{
"type": "I/SigI",
"value": 2.130
},
{
"type": "Completeness",
"value": 89.4
},
{
"type": "Redundancy",
"value": 6.5
}
]
},
{
"resolution_limits": [1.94,1.86],
"number_observations": 107459,
"number_observations_unique": 14142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.01146
},
{
"type": "I/SigI",
"value": 2.720
}
]
},
{
"resolution_limits": [2.03,1.94],
"number_observations": 104199,
"number_observations_unique": 13659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.01146
},
{
"type": "I/SigI",
"value": 3.910
}
]
},
{
"resolution_limits": [2.13,2.03],
"number_observations": 96775,
"number_observations_unique": 12690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.01146
},
{
"type": "I/SigI",
"value": 5.180
}
]
},
{
"resolution_limits": [2.27,2.13],
"number_observations": 109814,
"number_observations_unique": 14348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.01146
},
{
"type": "I/SigI",
"value": 6.490
}
]
},
{
"resolution_limits": [2.44,2.27],
"number_observations": 102198,
"number_observations_unique": 13295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.01146
},
{
"type": "I/SigI",
"value": 8.570
}
]
},
{
"resolution_limits": [2.69,2.44],
"number_observations": 107820,
"number_observations_unique": 14008,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.01146
},
{
"type": "I/SigI",
"value": 10.870
}
]
},
{
"resolution_limits": [3.07,2.69],
"number_observations": 104438,
"number_observations_unique": 13539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.01146
},
{
"type": "I/SigI",
"value": 16.270
}
]
},
{
"resolution_limits": [3.87,3.07],
"number_observations": 107375,
"number_observations_unique": 13953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.01146
},
{
"type": "I/SigI",
"value": 28.080
}
]
},
{
"resolution_limits": [29.480,3.87],
"number_observations": 106847,
"number_observations_unique": 13941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.01146
},
{
"type": "I/SigI",
"value": 39.070
}
]
}
]
}