Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "acd6ff690839a61e538e91839ca7dc4d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 58.09,
"b": 90.03,
"c": 154.91,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000,0.97920,0.97970,0.97200],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.01,1.80],
"number_observations_unique": 73218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 9.7066
},
{
"type": "Completeness",
"value": 96.37
},
{
"type": "Redundancy",
"value": 5.62
}
]
},
"refln_shells": [
{
"resolution_limits": [1.90,1.80],
"number_observations": 54145,
"number_observations_unique": 9864,
"quality_factors": [
{
"type": "Completeness",
"value": 90.46
},
{
"type": "Redundancy",
"value": 5.49
}
]
},
{
"resolution_limits": [2.01,1.90],
"number_observations": 52019,
"number_observations_unique": 9544,
"quality_factors": [
{
"type": "Completeness",
"value": 91.92
},
{
"type": "Redundancy",
"value": 5.45
}
]
},
{
"resolution_limits": [2.15,2.01],
"number_observations": 50156,
"number_observations_unique": 9273,
"quality_factors": [
{
"type": "Completeness",
"value": 95.16
},
{
"type": "Redundancy",
"value": 5.41
}
]
},
{
"resolution_limits": [2.32,2.15],
"number_observations": 48262,
"number_observations_unique": 8922,
"quality_factors": [
{
"type": "Completeness",
"value": 97.84
},
{
"type": "Redundancy",
"value": 5.41
}
]
},
{
"resolution_limits": [2.55,2.32],
"number_observations": 45993,
"number_observations_unique": 8324,
"quality_factors": [
{
"type": "Completeness",
"value": 99.09
},
{
"type": "Redundancy",
"value": 5.53
}
]
},
{
"resolution_limits": [2.85,2.55],
"number_observations": 43305,
"number_observations_unique": 7585,
"quality_factors": [
{
"type": "Completeness",
"value": 99.43
},
{
"type": "Redundancy",
"value": 5.71
}
]
},
{
"resolution_limits": [3.29,2.85],
"number_observations": 39717,
"number_observations_unique": 6763,
"quality_factors": [
{
"type": "Completeness",
"value": 99.66
},
{
"type": "Redundancy",
"value": 5.87
}
]
},
{
"resolution_limits": [4.02,3.29],
"number_observations": 35007,
"number_observations_unique": 5770,
"quality_factors": [
{
"type": "Completeness",
"value": 99.84
},
{
"type": "Redundancy",
"value": 6.07
}
]
},
{
"resolution_limits": [5.69,4.02],
"number_observations": 27725,
"number_observations_unique": 4559,
"quality_factors": [
{
"type": "Completeness",
"value": 99.93
},
{
"type": "Redundancy",
"value": 6.08
}
]
},
{
"resolution_limits": [30.01,5.69],
"number_observations": 14924,
"number_observations_unique": 2614,
"quality_factors": [
{
"type": "Completeness",
"value": 99.23
},
{
"type": "Redundancy",
"value": 5.71
}
]
}
]
}