Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e3024a37e202fed66c401db923e58c4c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.240,
"b": 41.519,
"c": 71.936,
"alpha": 90.00,
"beta": 104.42,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [24.602,1.750],
"number_observations_unique": 24612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.84,1.75],
"number_observations": 12573,
"number_observations_unique": 3589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 4.6
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [1.96,1.84],
"number_observations": 11780,
"number_observations_unique": 3337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 6.8
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [2.09,1.96],
"number_observations": 11295,
"number_observations_unique": 3178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 8.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.26,2.09],
"number_observations": 10584,
"number_observations_unique": 2956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 8.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.47,2.26],
"number_observations": 9976,
"number_observations_unique": 2756,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 9.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.77,2.47],
"number_observations": 8978,
"number_observations_unique": 2472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 10.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [3.20,2.77],
"number_observations": 7976,
"number_observations_unique": 2181,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 8.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [3.91,3.20],
"number_observations": 6826,
"number_observations_unique": 1863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 9.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [5.53,3.91],
"number_observations": 5313,
"number_observations_unique": 1464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 9.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [24.60,5.53],
"number_observations": 2803,
"number_observations_unique": 816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 5.6
},
{
"type": "Completeness",
"value": 98.80
},
{
"type": "Redundancy",
"value": 3.40
}
]
}
]
}