Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f8191d6b623322e67e25d95b2c3f6ed1",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 75.499,
"b": 75.499,
"c": 46.486,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97947],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.700],
"number_observations_unique": 29155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 89.400
},
{
"type": "Redundancy",
"value": 10.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.76,1.70],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.674
},
{
"type": "Completeness",
"value": 48.60
},
{
"type": "Redundancy",
"value": 5.70
}
]
},
{
"resolution_limits": [1.83,1.76],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.472
},
{
"type": "Completeness",
"value": 69.00
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [1.91,1.83],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.388
},
{
"type": "Completeness",
"value": 82.80
},
{
"type": "Redundancy",
"value": 9.20
}
]
},
{
"resolution_limits": [2.02,1.91],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "Completeness",
"value": 95.70
},
{
"type": "Redundancy",
"value": 10.30
}
]
},
{
"resolution_limits": [2.14,2.02],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 11.10
}
]
},
{
"resolution_limits": [2.31,2.14],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 11.40
}
]
},
{
"resolution_limits": [2.54,2.31],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 11.50
}
]
},
{
"resolution_limits": [2.91,2.54],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 11.60
}
]
},
{
"resolution_limits": [3.66,2.91],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 11.60
}
]
},
{
"resolution_limits": [50.00,3.66],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "Completeness",
"value": 98.40
},
{
"type": "Redundancy",
"value": 11.60
}
]
}
]
}