Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "811a6c410f17b1a12bc8993552afd52a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 46.363,
"b": 91.148,
"c": 107.023,
"alpha": 90.00,
"beta": 92.05,
"gamma": 90.00
},
"wavelengths": [1.02450],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.33,1.900],
"number_observations_unique": 133951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 8.380
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.8
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.900],
"number_observations": 43026,
"number_observations_unique": 21730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 0.610
},
{
"type": "Completeness",
"value": 97.100
}
]
},
{
"resolution_limits": [2.150,2.020],
"number_observations": 38877,
"number_observations_unique": 20212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 1.260
},
{
"type": "Completeness",
"value": 96.500
}
]
},
{
"resolution_limits": [2.330,2.150],
"number_observations": 38323,
"number_observations_unique": 19113,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 2.350
},
{
"type": "Completeness",
"value": 97.600
}
]
},
{
"resolution_limits": [2.550,2.330],
"number_observations": 34477,
"number_observations_unique": 17480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 3.920
},
{
"type": "Completeness",
"value": 97.300
}
]
},
{
"resolution_limits": [2.850,2.550],
"number_observations": 30965,
"number_observations_unique": 15720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 6.770
},
{
"type": "Completeness",
"value": 97.100
}
]
},
{
"resolution_limits": [3.290,2.850],
"number_observations": 27901,
"number_observations_unique": 13984,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 97.400
}
]
},
{
"resolution_limits": [4.030,3.290],
"number_observations": 23148,
"number_observations_unique": 11685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 21.710
},
{
"type": "Completeness",
"value": 97.000
}
]
},
{
"resolution_limits": [5.690,4.030],
"number_observations": 17696,
"number_observations_unique": 9060,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 30.520
},
{
"type": "Completeness",
"value": 96.400
}
]
},
{
"resolution_limits": [46.33,5.690],
"number_observations": 9898,
"number_observations_unique": 4967,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 34.730
},
{
"type": "Completeness",
"value": 96.600
}
]
}
]
}