Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8cb63420a9abd0a39d6696308c73afc8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 9.425,
"b": 21.482,
"c": 45.731,
"alpha": 90.00,
"beta": 90.02,
"gamma": 90.00
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [80.000,1.800],
"number_observations_unique": 1656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.86,1.80],
"number_observations_unique": 150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.501
},
{
"type": "Completeness",
"value": 82.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [1.94,1.86],
"number_observations_unique": 133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.329
},
{
"type": "Completeness",
"value": 82.10
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.03,1.94],
"number_observations_unique": 147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.247
},
{
"type": "Completeness",
"value": 88.60
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.13,2.03],
"number_observations_unique": 158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "Completeness",
"value": 92.90
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.27,2.13],
"number_observations_unique": 174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "Completeness",
"value": 97.20
},
{
"type": "Redundancy",
"value": 3.90
}
]
},
{
"resolution_limits": [2.44,2.27],
"number_observations_unique": 187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "Completeness",
"value": 98.90
},
{
"type": "Redundancy",
"value": 4.10
}
]
},
{
"resolution_limits": [2.69,2.44],
"number_observations_unique": 163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.30
}
]
},
{
"resolution_limits": [3.08,2.69],
"number_observations_unique": 184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "Completeness",
"value": 98.90
},
{
"type": "Redundancy",
"value": 4.00
}
]
},
{
"resolution_limits": [3.88,3.08],
"number_observations_unique": 172,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "Completeness",
"value": 98.90
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [80.00,3.88],
"number_observations_unique": 188,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "Completeness",
"value": 96.40
},
{
"type": "Redundancy",
"value": 3.50
}
]
}
]
}