Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a07895f585d9ebf5e26447ba77817ee9",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 106.122,
"b": 49.722,
"c": 36.902,
"alpha": 90.00,
"beta": 108.84,
"gamma": 90.00
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.000,1.700],
"number_observations_unique": 19212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.76,1.70],
"number_observations_unique": 1568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "Completeness",
"value": 78.30
},
{
"type": "Redundancy",
"value": 3.30
}
]
},
{
"resolution_limits": [1.83,1.76],
"number_observations_unique": 1771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "Completeness",
"value": 89.30
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [1.91,1.83],
"number_observations_unique": 1921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "Completeness",
"value": 96.70
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.02,1.91],
"number_observations_unique": 1980,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.14,2.02],
"number_observations_unique": 1970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 98.50
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.31,2.14],
"number_observations_unique": 1968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 98.60
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.54,2.31],
"number_observations_unique": 1985,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 98.80
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.91,2.54],
"number_observations_unique": 1995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [3.66,2.91],
"number_observations_unique": 2026,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [40.00,3.66],
"number_observations_unique": 2028,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "Completeness",
"value": 98.30
},
{
"type": "Redundancy",
"value": 3.70
}
]
}
]
}