Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "84fd4d595783f16d995ccc92aeb625bf",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 120.679,
"b": 43.309,
"c": 50.150,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97940],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.098],
"number_observations_unique": 15029,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 28.47
},
{
"type": "Completeness",
"value": 94.0
},
{
"type": "Redundancy",
"value": 4.6
}
]
},
"refln_shells": [
{
"resolution_limits": [2.14,2.098],
"number_observations_unique": 723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.592
},
{
"type": "I/SigI",
"value": 3.74
},
{
"type": "Completeness",
"value": 90.5
},
{
"type": "Redundancy",
"value": 4.7
}
]
},
{
"resolution_limits": [2.18,2.14],
"number_observations_unique": 713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.518
},
{
"type": "I/SigI",
"value": 4.51
},
{
"type": "Completeness",
"value": 89.1
},
{
"type": "Redundancy",
"value": 4.7
}
]
},
{
"resolution_limits": [2.22,2.18],
"number_observations_unique": 691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.493
},
{
"type": "I/SigI",
"value": 4.76
},
{
"type": "Completeness",
"value": 91.5
},
{
"type": "Redundancy",
"value": 4.7
}
]
},
{
"resolution_limits": [2.26,2.22],
"number_observations_unique": 706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.468
},
{
"type": "I/SigI",
"value": 5.25
},
{
"type": "Completeness",
"value": 90.7
},
{
"type": "Redundancy",
"value": 4.6
}
]
},
{
"resolution_limits": [2.31,2.26],
"number_observations_unique": 693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.383
},
{
"type": "I/SigI",
"value": 6.36
},
{
"type": "Completeness",
"value": 90.2
},
{
"type": "Redundancy",
"value": 4.7
}
]
},
{
"resolution_limits": [2.37,2.31],
"number_observations_unique": 720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.344
},
{
"type": "I/SigI",
"value": 6.42
},
{
"type": "Completeness",
"value": 90.0
},
{
"type": "Redundancy",
"value": 4.6
}
]
},
{
"resolution_limits": [2.42,2.37],
"number_observations_unique": 716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.302
},
{
"type": "I/SigI",
"value": 7.77
},
{
"type": "Completeness",
"value": 92.4
},
{
"type": "Redundancy",
"value": 4.6
}
]
},
{
"resolution_limits": [2.49,2.42],
"number_observations_unique": 712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.276
},
{
"type": "I/SigI",
"value": 8.22
},
{
"type": "Completeness",
"value": 90.9
},
{
"type": "Redundancy",
"value": 4.5
}
]
},
{
"resolution_limits": [2.56,2.49],
"number_observations_unique": 726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "I/SigI",
"value": 10.43
},
{
"type": "Completeness",
"value": 91.9
},
{
"type": "Redundancy",
"value": 4.5
}
]
},
{
"resolution_limits": [2.65,2.56],
"number_observations_unique": 720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "I/SigI",
"value": 13.08
},
{
"type": "Completeness",
"value": 90.7
},
{
"type": "Redundancy",
"value": 4.5
}
]
},
{
"resolution_limits": [2.74,2.65],
"number_observations_unique": 747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 12.56
},
{
"type": "Completeness",
"value": 94.9
},
{
"type": "Redundancy",
"value": 4.4
}
]
}
]
}