Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2b0a3a938676e2feda8fc492e8edc923",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 94.624,
"b": 94.624,
"c": 214.836,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.000],
"number_observations_unique": 62818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 11.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.07,2.00],
"number_observations_unique": 3410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.266
},
{
"type": "Redundancy",
"value": 4.60
}
]
},
{
"resolution_limits": [2.15,2.07],
"number_observations_unique": 5648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "Redundancy",
"value": 5.00
}
]
},
{
"resolution_limits": [2.25,2.15],
"number_observations_unique": 6526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "Redundancy",
"value": 7.60
}
]
},
{
"resolution_limits": [2.37,2.25],
"number_observations_unique": 6609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "Redundancy",
"value": 12.20
}
]
},
{
"resolution_limits": [2.52,2.37],
"number_observations_unique": 6604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "Redundancy",
"value": 12.80
}
]
},
{
"resolution_limits": [2.71,2.52],
"number_observations_unique": 6669,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "Redundancy",
"value": 12.80
}
]
},
{
"resolution_limits": [2.99,2.71],
"number_observations_unique": 6678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "Redundancy",
"value": 12.70
}
]
},
{
"resolution_limits": [3.42,2.99],
"number_observations_unique": 6733,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Redundancy",
"value": 12.70
}
]
},
{
"resolution_limits": [4.31,3.42],
"number_observations_unique": 6809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "Redundancy",
"value": 12.90
}
]
},
{
"resolution_limits": [50.00,4.31],
"number_observations_unique": 7132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "Redundancy",
"value": 13.00
}
]
}
]
}