Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fac6cb287e9e89e7de24fd14ae2e7ad3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 97.409,
"b": 106.169,
"c": 144.185,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.400],
"number_observations_unique": 59702,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 16.981
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.49,2.40],
"number_observations_unique": 5874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.894
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 5.90
}
]
},
{
"resolution_limits": [2.59,2.49],
"number_observations_unique": 5898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.751
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.90
}
]
},
{
"resolution_limits": [2.70,2.59],
"number_observations_unique": 5864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.593
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.30
}
]
},
{
"resolution_limits": [2.85,2.70],
"number_observations_unique": 5922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.462
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [3.02,2.85],
"number_observations_unique": 5925,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.318
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [3.26,3.02],
"number_observations_unique": 5940,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [3.58,3.26],
"number_observations_unique": 5968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [4.10,3.58],
"number_observations_unique": 5987,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.40
}
]
},
{
"resolution_limits": [5.17,4.10],
"number_observations_unique": 6039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.30
}
]
},
{
"resolution_limits": [50.00,5.17],
"number_observations_unique": 6285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 7.10
}
]
}
]
}