Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fceaa4eddd7fc2771594f3c56dad55cd",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 135.465,
"b": 135.465,
"c": 42.468,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [95.79,2.4],
"number_observations_unique": 16004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 21.3
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 8.7
}
]
},
"refln_shells": [
{
"resolution_limits": [2.44,2.4],
"number_observations_unique": 750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.440
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 97.8
},
{
"type": "Redundancy",
"value": 5.0
}
]
},
{
"resolution_limits": [2.49,2.44],
"number_observations_unique": 796,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.403
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 5.2
}
]
},
{
"resolution_limits": [2.53,2.49],
"number_observations_unique": 784,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.390
},
{
"type": "I/SigI",
"value": 3.3
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 5.2
}
]
},
{
"resolution_limits": [2.59,2.53],
"number_observations_unique": 773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.376
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 5.4
}
]
},
{
"resolution_limits": [2.64,2.59],
"number_observations_unique": 783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.346
},
{
"type": "I/SigI",
"value": 3.9
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 5.6
}
]
},
{
"resolution_limits": [2.70,2.64],
"number_observations_unique": 778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.325
},
{
"type": "I/SigI",
"value": 4.4
},
{
"type": "Completeness",
"value": 98.0
},
{
"type": "Redundancy",
"value": 5.9
}
]
}
]
}