Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6c19a646696f361c6cba29dc19a7b561",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 44.761,
"b": 52.459,
"c": 87.636,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.87000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [25.000,1.800],
"number_observations_unique": 19600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 39.000
},
{
"type": "Completeness",
"value": 99.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.86,1.80],
"number_observations_unique": 1947,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.94,1.86],
"number_observations_unique": 1920,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [2.03,1.94],
"number_observations_unique": 1950,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.05
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.13,2.03],
"number_observations_unique": 1938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.27,2.13],
"number_observations_unique": 1948,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "Completeness",
"value": 99.80
}
]
},
{
"resolution_limits": [2.44,2.27],
"number_observations_unique": 1961,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.04
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.69,2.44],
"number_observations_unique": 1962,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [3.08,2.69],
"number_observations_unique": 2003,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [3.87,3.08],
"number_observations_unique": 1987,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "Completeness",
"value": 99.00
}
]
},
{
"resolution_limits": [25.00,3.87],
"number_observations_unique": 1984,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "Completeness",
"value": 92.80
}
]
}
]
}