Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "62e69b464985cfe177588c9c0b6939a2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.769,
"b": 70.564,
"c": 48.023,
"alpha": 90.00,
"beta": 113.17,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,1.700],
"number_observations_unique": 30519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 2.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.76,1.70],
"number_observations_unique": 3064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.524
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 2.40
}
]
},
{
"resolution_limits": [1.83,1.76],
"number_observations_unique": 3093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.402
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 2.40
}
]
},
{
"resolution_limits": [1.91,1.83],
"number_observations_unique": 3086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.307
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 2.40
}
]
},
{
"resolution_limits": [2.02,1.91],
"number_observations_unique": 3072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 2.50
}
]
},
{
"resolution_limits": [2.14,2.02],
"number_observations_unique": 3072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 2.50
}
]
},
{
"resolution_limits": [2.31,2.14],
"number_observations_unique": 3077,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 2.50
}
]
},
{
"resolution_limits": [2.54,2.31],
"number_observations_unique": 3057,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "Completeness",
"value": 98.90
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [2.91,2.54],
"number_observations_unique": 3040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "Completeness",
"value": 97.90
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [3.66,2.91],
"number_observations_unique": 3008,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 96.80
},
{
"type": "Redundancy",
"value": 2.70
}
]
},
{
"resolution_limits": [30.00,3.66],
"number_observations_unique": 2950,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "Completeness",
"value": 93.10
},
{
"type": "Redundancy",
"value": 2.70
}
]
}
]
}