Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "724bed50abd0b306bd4b44584c52f034",
"space_group_name": "P 43",
"unit_cell": {
"a": 71.669,
"b": 71.669,
"c": 126.236,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.87000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [71.67,2.500],
"number_observations_unique": 18607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 85.000
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.640,2.500],
"number_observations": 9556,
"number_observations_unique": 2816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.319
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 87.700
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.800,2.640],
"number_observations": 9062,
"number_observations_unique": 2638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 87.200
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.990,2.800],
"number_observations": 8362,
"number_observations_unique": 2447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 86.500
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [3.230,2.990],
"number_observations": 7961,
"number_observations_unique": 2283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 86.500
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [3.540,3.230],
"number_observations": 7238,
"number_observations_unique": 2056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 85.100
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [3.950,3.540],
"number_observations": 6591,
"number_observations_unique": 1860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 84.400
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [4.560,3.950],
"number_observations": 5746,
"number_observations_unique": 1601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 82.800
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [5.590,4.560],
"number_observations": 4961,
"number_observations_unique": 1356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 82.100
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [7.910,5.590],
"number_observations": 3822,
"number_observations_unique": 1025,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 80.300
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [71.611,7.910],
"number_observations": 1972,
"number_observations_unique": 525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 74.700
},
{
"type": "Redundancy",
"value": 3.800
}
]
}
]
}