Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5752f9efc34e3428b51314510103a798",
"space_group_name": "H 3",
"unit_cell": {
"a": 70.892,
"b": 70.892,
"c": 120.837,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.500],
"number_observations_unique": 6682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 85.900
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.59,2.50],
"number_observations_unique": 419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "Completeness",
"value": 54.00
},
{
"type": "Redundancy",
"value": 5.50
}
]
},
{
"resolution_limits": [2.69,2.59],
"number_observations_unique": 479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "Completeness",
"value": 63.20
},
{
"type": "Redundancy",
"value": 5.70
}
]
},
{
"resolution_limits": [2.82,2.69],
"number_observations_unique": 565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "Completeness",
"value": 71.20
},
{
"type": "Redundancy",
"value": 6.00
}
]
},
{
"resolution_limits": [2.96,2.82],
"number_observations_unique": 628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "Completeness",
"value": 80.90
},
{
"type": "Redundancy",
"value": 6.20
}
]
},
{
"resolution_limits": [3.15,2.96],
"number_observations_unique": 699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "Completeness",
"value": 90.70
},
{
"type": "Redundancy",
"value": 6.60
}
]
},
{
"resolution_limits": [3.39,3.15],
"number_observations_unique": 794,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.40
}
]
},
{
"resolution_limits": [3.73,3.39],
"number_observations_unique": 773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.90
}
]
},
{
"resolution_limits": [4.27,3.73],
"number_observations_unique": 770,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 8.10
}
]
},
{
"resolution_limits": [5.38,4.27],
"number_observations_unique": 785,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.90
}
]
},
{
"resolution_limits": [50.00,5.38],
"number_observations_unique": 770,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 98.50
},
{
"type": "Redundancy",
"value": 7.90
}
]
}
]
}