Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b5b0cad9540398f718f0f73d104649e1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 33.389,
"b": 66.225,
"c": 62.210,
"alpha": 90.00,
"beta": 100.77,
"gamma": 90.00
},
"wavelengths": [1.08100],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.750],
"number_observations_unique": 26899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.81,1.75],
"number_observations_unique": 2525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.245
},
{
"type": "Completeness",
"value": 95.00
},
{
"type": "Redundancy",
"value": 4.50
}
]
},
{
"resolution_limits": [1.89,1.81],
"number_observations_unique": 2689,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 6.00
}
]
},
{
"resolution_limits": [1.97,1.89],
"number_observations_unique": 2709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.00
}
]
},
{
"resolution_limits": [2.07,1.97],
"number_observations_unique": 2694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.40
}
]
},
{
"resolution_limits": [2.20,2.07],
"number_observations_unique": 2679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.40
}
]
},
{
"resolution_limits": [2.38,2.20],
"number_observations_unique": 2699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.40
}
]
},
{
"resolution_limits": [2.61,2.38],
"number_observations_unique": 2699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.40
}
]
},
{
"resolution_limits": [2.99,2.61],
"number_observations_unique": 2717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.40
}
]
},
{
"resolution_limits": [3.77,2.99],
"number_observations_unique": 2722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.30
}
]
},
{
"resolution_limits": [50.00,3.77],
"number_observations_unique": 2766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 7.30
}
]
}
]
}