Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "04e02602d7ae1655b857933ae6887ac6",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 49.78,
"b": 125.27,
"c": 174.65,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91837,0.97911,0.97922],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.039,1.70],
"number_observations_unique": 60062,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 10.610
},
{
"type": "Completeness",
"value": 98.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.76,1.70],
"number_observations": 21187,
"number_observations_unique": 11140,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.328
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 97.10
}
]
},
{
"resolution_limits": [1.83,1.76],
"number_observations": 22031,
"number_observations_unique": 11511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.258
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 99.40
}
]
},
{
"resolution_limits": [1.91,1.83],
"number_observations": 21462,
"number_observations_unique": 11189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "I/SigI",
"value": 4.0
},
{
"type": "Completeness",
"value": 99.30
}
]
},
{
"resolution_limits": [2.02,1.91],
"number_observations": 23980,
"number_observations_unique": 12489,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "I/SigI",
"value": 5.4
},
{
"type": "Completeness",
"value": 99.30
}
]
},
{
"resolution_limits": [2.14,2.02],
"number_observations": 21043,
"number_observations_unique": 10937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 7.3
},
{
"type": "Completeness",
"value": 99.40
}
]
},
{
"resolution_limits": [2.31,2.14],
"number_observations": 22875,
"number_observations_unique": 11880,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 9.4
},
{
"type": "Completeness",
"value": 99.40
}
]
},
{
"resolution_limits": [2.54,2.31],
"number_observations": 21982,
"number_observations_unique": 11339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 11.6
},
{
"type": "Completeness",
"value": 99.10
}
]
},
{
"resolution_limits": [2.90,2.54],
"number_observations": 22053,
"number_observations_unique": 11297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 15.0
},
{
"type": "Completeness",
"value": 98.50
}
]
},
{
"resolution_limits": [3.66,2.90],
"number_observations": 22647,
"number_observations_unique": 11457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 20.8
},
{
"type": "Completeness",
"value": 97.80
}
]
},
{
"resolution_limits": [28.039,3.66],
"number_observations": 22465,
"number_observations_unique": 11225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 27.4
},
{
"type": "Completeness",
"value": 96.00
}
]
}
]
}