Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e2f105e4b5e8c4f43501ef6f11c63675",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 118.348,
"b": 76.564,
"c": 97.702,
"alpha": 90.00,
"beta": 115.82,
"gamma": 90.00
},
"wavelengths": [1.11587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [88.050,1.498],
"number_observations_unique": 120185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 16.662
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 2.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.55,1.498],
"number_observations_unique": 11287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.513
},
{
"type": "Completeness",
"value": 90.90
},
{
"type": "Redundancy",
"value": 2.30
}
]
},
{
"resolution_limits": [1.62,1.55],
"number_observations_unique": 11682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.380
},
{
"type": "Completeness",
"value": 93.50
},
{
"type": "Redundancy",
"value": 2.40
}
]
},
{
"resolution_limits": [1.69,1.62],
"number_observations_unique": 11830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.281
},
{
"type": "Completeness",
"value": 94.70
},
{
"type": "Redundancy",
"value": 2.40
}
]
},
{
"resolution_limits": [1.78,1.69],
"number_observations_unique": 11963,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "Completeness",
"value": 95.30
},
{
"type": "Redundancy",
"value": 2.40
}
]
},
{
"resolution_limits": [1.89,1.78],
"number_observations_unique": 11968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "Completeness",
"value": 95.80
},
{
"type": "Redundancy",
"value": 2.40
}
]
},
{
"resolution_limits": [2.04,1.89],
"number_observations_unique": 12115,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "Completeness",
"value": 96.30
},
{
"type": "Redundancy",
"value": 2.50
}
]
},
{
"resolution_limits": [2.24,2.04],
"number_observations_unique": 12137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "Completeness",
"value": 96.80
},
{
"type": "Redundancy",
"value": 2.50
}
]
},
{
"resolution_limits": [2.56,2.24],
"number_observations_unique": 12249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 97.40
},
{
"type": "Redundancy",
"value": 2.50
}
]
},
{
"resolution_limits": [3.23,2.56],
"number_observations_unique": 12396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "Completeness",
"value": 98.30
},
{
"type": "Redundancy",
"value": 2.50
}
]
},
{
"resolution_limits": [50.00,3.23],
"number_observations_unique": 12558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "Completeness",
"value": 98.40
},
{
"type": "Redundancy",
"value": 2.40
}
]
}
]
}