Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "943d999cd90fa3d25d2b25e829774e5d",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 79.856,
"b": 79.856,
"c": 97.311,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00497],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [96.135,2.60],
"number_observations_unique": 9666,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.840,2.60],
"number_observations": 4647,
"number_observations_unique": 1083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.609
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 85.600
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [3.010,2.840],
"number_observations": 6385,
"number_observations_unique": 1177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.385
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [3.220,3.010],
"number_observations": 6059,
"number_observations_unique": 1120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [3.470,3.220],
"number_observations": 5468,
"number_observations_unique": 1063,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [3.800,3.470],
"number_observations": 5352,
"number_observations_unique": 958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [4.250,3.800],
"number_observations": 4714,
"number_observations_unique": 887,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [4.910,4.250],
"number_observations": 4143,
"number_observations_unique": 804,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [6.020,4.910],
"number_observations": 3621,
"number_observations_unique": 677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [8.510,6.020],
"number_observations": 2644,
"number_observations_unique": 548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [96.135,8.510],
"number_observations": 1478,
"number_observations_unique": 337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 18.000
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.400
}
]
}
]
}