Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "194b2dd14cf3e6503ec7ec207a1c3dfd",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 183.87,
"b": 61.46,
"c": 67.39,
"alpha": 90.0,
"beta": 94.7,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [91.626,1.770],
"number_observations_unique": 63604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 86.800
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.870,1.770],
"number_observations": 25633,
"number_observations_unique": 8825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.464
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 82.900
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [1.980,1.870],
"number_observations": 23319,
"number_observations_unique": 8066,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.326
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 79.900
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [2.120,1.980],
"number_observations": 20998,
"number_observations_unique": 7328,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 77.400
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [2.290,2.120],
"number_observations": 19107,
"number_observations_unique": 6857,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 77.800
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [2.500,2.290],
"number_observations": 17863,
"number_observations_unique": 6868,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 84.500
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [2.800,2.500],
"number_observations": 17521,
"number_observations_unique": 6988,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 2.500
}
]
},
{
"resolution_limits": [3.230,2.800],
"number_observations": 17563,
"number_observations_unique": 6488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [3.960,3.230],
"number_observations": 16156,
"number_observations_unique": 5501,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 17.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [5.600,3.960],
"number_observations": 13310,
"number_observations_unique": 4304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 25.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [29.429,5.600],
"number_observations": 7328,
"number_observations_unique": 2379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 26.100
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.100
}
]
}
]
}