Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "72afabe32b8376deb05c9895e0a5a163",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 62.02,
"b": 62.02,
"c": 133.80,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00002,0.97942,0.97921,0.94645],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.437,1.500],
"number_observations_unique": 42659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 9.49
},
{
"type": "Completeness",
"value": 99.7
}
]
},
"refln_shells": [
{
"resolution_limits": [1.55,1.50],
"number_observations": 25145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.732
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Completeness",
"value": 97.7
}
]
},
{
"resolution_limits": [1.62,1.55],
"number_observations": 32670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.639
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [1.69,1.62],
"number_observations": 27786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.566
},
{
"type": "I/SigI",
"value": 2.7
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [1.78,1.69],
"number_observations": 29288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.439
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [1.89,1.78],
"number_observations": 27933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.313
},
{
"type": "I/SigI",
"value": 4.4
},
{
"type": "Completeness",
"value": 99.9
}
]
},
{
"resolution_limits": [2.04,1.89],
"number_observations": 28091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "I/SigI",
"value": 5.9
},
{
"type": "Completeness",
"value": 99.8
}
]
},
{
"resolution_limits": [2.24,2.04],
"number_observations": 52079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "I/SigI",
"value": 9.2
},
{
"type": "Completeness",
"value": 99.9
}
]
},
{
"resolution_limits": [2.56,2.24],
"number_observations": 54678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "I/SigI",
"value": 12.4
},
{
"type": "Completeness",
"value": 99.9
}
]
},
{
"resolution_limits": [3.23,2.56],
"number_observations": 55655,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 19.0
},
{
"type": "Completeness",
"value": 99.8
}
]
},
{
"resolution_limits": [29.4,3.23],
"number_observations": 57993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 33.6
},
{
"type": "Completeness",
"value": 99.5
}
]
}
]
}