Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "43e77be1333cee0b5e5b4bf8ce9f5ac8",
"space_group_name": "P 1",
"unit_cell": {
"a": 60.032,
"b": 61.586,
"c": 66.640,
"alpha": 78.47,
"beta": 78.74,
"gamma": 84.68
},
"wavelengths": [0.97895,0.97934,0.98011],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.000,2.100],
"number_observations_unique": 51547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.18,2.10],
"number_observations_unique": 4563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "Completeness",
"value": 85.90
},
{
"type": "Redundancy",
"value": 2.70
}
]
},
{
"resolution_limits": [2.26,2.18],
"number_observations_unique": 4969,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "Completeness",
"value": 93.00
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [2.37,2.26],
"number_observations_unique": 5250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.24
},
{
"type": "Completeness",
"value": 97.30
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [2.49,2.37],
"number_observations_unique": 5173,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "Completeness",
"value": 97.60
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.65,2.49],
"number_observations_unique": 5231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "Completeness",
"value": 98.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.85,2.65],
"number_observations_unique": 5245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.13
},
{
"type": "Completeness",
"value": 98.20
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [3.14,2.85],
"number_observations_unique": 5249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "Completeness",
"value": 98.50
},
{
"type": "Redundancy",
"value": 3.90
}
]
},
{
"resolution_limits": [3.59,3.14],
"number_observations_unique": 5267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 98.80
},
{
"type": "Redundancy",
"value": 3.90
}
]
},
{
"resolution_limits": [4.52,3.59],
"number_observations_unique": 5291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 99.10
},
{
"type": "Redundancy",
"value": 3.90
}
]
},
{
"resolution_limits": [40.00,4.52],
"number_observations_unique": 5309,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 3.90
}
]
}
]
}