Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0732c6bff96c9b066529ba54286bf212",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 56.198,
"b": 152.007,
"c": 74.543,
"alpha": 90.00,
"beta": 92.41,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.187],
"number_observations_unique": 51709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 15.173
},
{
"type": "Completeness",
"value": 80.900
},
{
"type": "Redundancy",
"value": 2.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.28,2.187],
"number_observations_unique": 5377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.373
},
{
"type": "Completeness",
"value": 84.30
},
{
"type": "Redundancy",
"value": 2.20
}
]
},
{
"resolution_limits": [2.37,2.28],
"number_observations_unique": 5316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.607
},
{
"type": "Completeness",
"value": 83.80
},
{
"type": "Redundancy",
"value": 2.30
}
]
},
{
"resolution_limits": [2.48,2.37],
"number_observations_unique": 5203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.415
},
{
"type": "Completeness",
"value": 81.20
},
{
"type": "Redundancy",
"value": 2.30
}
]
},
{
"resolution_limits": [2.61,2.48],
"number_observations_unique": 4987,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.310
},
{
"type": "Completeness",
"value": 78.40
},
{
"type": "Redundancy",
"value": 2.40
}
]
},
{
"resolution_limits": [2.77,2.61],
"number_observations_unique": 4812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.242
},
{
"type": "Completeness",
"value": 75.30
},
{
"type": "Redundancy",
"value": 2.40
}
]
},
{
"resolution_limits": [2.99,2.77],
"number_observations_unique": 4700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "Completeness",
"value": 73.50
},
{
"type": "Redundancy",
"value": 2.40
}
]
},
{
"resolution_limits": [3.29,2.99],
"number_observations_unique": 4635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "Completeness",
"value": 72.80
},
{
"type": "Redundancy",
"value": 2.40
}
]
},
{
"resolution_limits": [3.76,3.29],
"number_observations_unique": 4979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 77.70
},
{
"type": "Redundancy",
"value": 2.30
}
]
},
{
"resolution_limits": [4.74,3.76],
"number_observations_unique": 5541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "Completeness",
"value": 86.50
},
{
"type": "Redundancy",
"value": 2.30
}
]
},
{
"resolution_limits": [50.00,4.74],
"number_observations_unique": 6159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "Completeness",
"value": 95.10
},
{
"type": "Redundancy",
"value": 2.60
}
]
}
]
}