Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4f51ef4dd69daf446c04b97dcfa3c4d5",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 74.634,
"b": 77.286,
"c": 92.864,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97935,0.97904,0.96389],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.087,2.096],
"number_observations_unique": 29937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 22.745
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 11.7
}
]
},
"refln_shells": [
{
"resolution_limits": [2.15,2.10],
"number_observations": 1878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.28
},
{
"type": "I/SigI",
"value": 6.125
},
{
"type": "Completeness",
"value": 88.300
},
{
"type": "Redundancy",
"value": 9.3
}
]
},
{
"resolution_limits": [2.20,2.15],
"number_observations": 1952,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.251
},
{
"type": "Completeness",
"value": 92.900
}
]
},
{
"resolution_limits": [2.26,2.20],
"number_observations": 2010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.256
},
{
"type": "Completeness",
"value": 95.300
}
]
},
{
"resolution_limits": [2.33,2.26],
"number_observations": 2034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "Completeness",
"value": 96.100
}
]
},
{
"resolution_limits": [2.40,2.33],
"number_observations": 2000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.16
},
{
"type": "Completeness",
"value": 95.700
}
]
},
{
"resolution_limits": [2.49,2.40],
"number_observations": 2032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "Completeness",
"value": 94.800
}
]
},
{
"resolution_limits": [2.59,2.49],
"number_observations": 2022,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "Completeness",
"value": 95.400
}
]
},
{
"resolution_limits": [2.71,2.59],
"number_observations": 2017,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.09
},
{
"type": "Completeness",
"value": 95.300
}
]
},
{
"resolution_limits": [2.85,2.71],
"number_observations": 2022,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 94.800
}
]
},
{
"resolution_limits": [3.03,2.85],
"number_observations": 2010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 93.800
}
]
},
{
"resolution_limits": [3.26,3.03],
"number_observations": 2004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.05
},
{
"type": "Completeness",
"value": 93.300
}
]
},
{
"resolution_limits": [3.59,3.26],
"number_observations": 2007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "Completeness",
"value": 93.000
}
]
},
{
"resolution_limits": [4.11,3.59],
"number_observations": 1998,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.03
},
{
"type": "Completeness",
"value": 92.100
}
]
},
{
"resolution_limits": [5.18,4.11],
"number_observations": 1984,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "Completeness",
"value": 90.100
}
]
},
{
"resolution_limits": [50.00,5.18],
"number_observations": 1967,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "Completeness",
"value": 84.800
}
]
}
]
}