Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cfc9e535545a65f4ec593b45c435218a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 106.318,
"b": 169.240,
"c": 40.154,
"alpha": 90.00,
"beta": 105.62,
"gamma": 90.00
},
"wavelengths": [1.03321],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.0,2.400],
"number_observations_unique": 26506,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 9.620
},
{
"type": "Completeness",
"value": 99.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.50,2.40],
"number_observations": 14672,
"number_observations_unique": 3060,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.678
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 99.10
}
]
},
{
"resolution_limits": [2.60,2.50],
"number_observations": 14108,
"number_observations_unique": 2558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.589
},
{
"type": "I/SigI",
"value": 2.7
},
{
"type": "Completeness",
"value": 99.30
}
]
},
{
"resolution_limits": [2.70,2.60],
"number_observations": 23772,
"number_observations_unique": 2275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.602
},
{
"type": "I/SigI",
"value": 4.1
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [2.80,2.70],
"number_observations": 19702,
"number_observations_unique": 1893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.495
},
{
"type": "I/SigI",
"value": 5.0
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [3.00,2.80],
"number_observations": 33158,
"number_observations_unique": 3130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.380
},
{
"type": "I/SigI",
"value": 6.4
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [6.00,3.00],
"number_observations": 126008,
"number_observations_unique": 11968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 14.0
},
{
"type": "Completeness",
"value": 99.80
}
]
},
{
"resolution_limits": [8.00,6.00],
"number_observations": 10480,
"number_observations_unique": 1003,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 20.0
},
{
"type": "Completeness",
"value": 99.60
}
]
},
{
"resolution_limits": [10.00,8.00],
"number_observations": 3591,
"number_observations_unique": 354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 22.6
},
{
"type": "Completeness",
"value": 99.40
}
]
},
{
"resolution_limits": [20.0,10.00],
"number_observations": 3352,
"number_observations_unique": 333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 23.2
},
{
"type": "Completeness",
"value": 87.40
}
]
}
]
}