Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "677f1361297c66c490fafff17098d0f9",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 71.266,
"b": 76.056,
"c": 55.912,
"alpha": 90.00,
"beta": 117.06,
"gamma": 90.00
},
"wavelengths": [0.92070,0.92110,0.91625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.791,2.000],
"number_observations_unique": 17519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.11,2.00],
"number_observations": 5678,
"number_observations_unique": 2207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.373
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Completeness",
"value": 85.50
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [2.24,2.11],
"number_observations": 8113,
"number_observations_unique": 2428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 97.90
},
{
"type": "Redundancy",
"value": 3.30
}
]
},
{
"resolution_limits": [2.39,2.24],
"number_observations": 8639,
"number_observations_unique": 2318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "I/SigI",
"value": 4.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.58,2.39],
"number_observations": 8071,
"number_observations_unique": 2174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 6.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.83,2.58],
"number_observations": 7437,
"number_observations_unique": 2006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 10.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [3.16,2.83],
"number_observations": 6680,
"number_observations_unique": 1813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 11.0
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [3.65,3.16],
"number_observations": 5825,
"number_observations_unique": 1600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 12.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [4.47,3.65],
"number_observations": 4852,
"number_observations_unique": 1357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 10.9
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [6.32,4.47],
"number_observations": 3480,
"number_observations_unique": 1053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 11.0
},
{
"type": "Completeness",
"value": 99.40
},
{
"type": "Redundancy",
"value": 3.30
}
]
},
{
"resolution_limits": [49.79,6.32],
"number_observations": 1919,
"number_observations_unique": 563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 11.6
},
{
"type": "Completeness",
"value": 96.20
},
{
"type": "Redundancy",
"value": 3.40
}
]
}
]
}