Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aceb474bb580bb8eb1fd4d77682f96ac",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 34.14,
"b": 57.48,
"c": 171.42,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97298],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,1.849],
"number_observations_unique": 29657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.343
},
{
"type": "I/SigI",
"value": 5.29
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 8.46
}
]
},
"refln_shells": [
{
"resolution_limits": [1.96,1.85],
"number_observations_unique": 4721,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.045
},
{
"type": "I/SigI",
"value": 2.23
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 8.35
}
]
},
{
"resolution_limits": [2.10,1.96],
"number_observations_unique": 4473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.786
},
{
"type": "I/SigI",
"value": 3.07
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 8.25
}
]
},
{
"resolution_limits": [2.26,2.10],
"number_observations_unique": 4163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.630
},
{
"type": "I/SigI",
"value": 3.86
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 8.52
}
]
},
{
"resolution_limits": [2.48,2.26],
"number_observations_unique": 3865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.519
},
{
"type": "I/SigI",
"value": 4.61
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 8.09
}
]
},
{
"resolution_limits": [2.77,2.48],
"number_observations_unique": 3479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.407
},
{
"type": "I/SigI",
"value": 5.82
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 8.78
}
]
},
{
"resolution_limits": [3.20,2.77],
"number_observations_unique": 3135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.279
},
{
"type": "I/SigI",
"value": 7.12
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 8.45
}
]
},
{
"resolution_limits": [3.91,3.20],
"number_observations_unique": 2659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "I/SigI",
"value": 9.18
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 9.12
}
]
},
{
"resolution_limits": [5.51,3.91],
"number_observations_unique": 2113,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "I/SigI",
"value": 9.74
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.64
}
]
},
{
"resolution_limits": [50.0,5.51],
"number_observations_unique": 1268,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 9.45
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 8.13
}
]
}
]
}