Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "22092e0b1e7e14229131a370b44d871d",
"space_group_name": "P 41",
"unit_cell": {
"a": 83.738,
"b": 83.738,
"c": 96.913,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [96.91,1.70],
"number_observations_unique": 73404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 18.7544
},
{
"type": "Completeness",
"value": 99.99
},
{
"type": "Redundancy",
"value": 6.86
}
]
},
"refln_shells": [
{
"resolution_limits": [1.79,1.70],
"number_observations": 73364,
"number_observations_unique": 10661,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.86
},
{
"type": "I/SigI",
"value": 2.28
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.88
}
]
},
{
"resolution_limits": [1.90,1.79],
"number_observations": 67779,
"number_observations_unique": 10121,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.51
},
{
"type": "I/SigI",
"value": 3.74
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.70
}
]
},
{
"resolution_limits": [2.03,1.90],
"number_observations": 67270,
"number_observations_unique": 9515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.29
},
{
"type": "I/SigI",
"value": 6.57
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.07
}
]
},
{
"resolution_limits": [2.19,2.03],
"number_observations": 60012,
"number_observations_unique": 8837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.17
},
{
"type": "I/SigI",
"value": 10.32
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.79
}
]
},
{
"resolution_limits": [2.40,2.19],
"number_observations": 56579,
"number_observations_unique": 8157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.11
},
{
"type": "I/SigI",
"value": 15.54
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.94
}
]
},
{
"resolution_limits": [2.69,2.40],
"number_observations": 51964,
"number_observations_unique": 7400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.08
},
{
"type": "I/SigI",
"value": 21.46
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.02
}
]
},
{
"resolution_limits": [3.10,2.69],
"number_observations": 44002,
"number_observations_unique": 6509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.05
},
{
"type": "I/SigI",
"value": 31.21
},
{
"type": "Completeness",
"value": 99.98
},
{
"type": "Redundancy",
"value": 6.76
}
]
},
{
"resolution_limits": [3.80,3.10],
"number_observations": 38351,
"number_observations_unique": 5515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.03
},
{
"type": "I/SigI",
"value": 48.06
},
{
"type": "Completeness",
"value": 99.95
},
{
"type": "Redundancy",
"value": 6.95
}
]
},
{
"resolution_limits": [5.38,3.80],
"number_observations": 28329,
"number_observations_unique": 4298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.03
},
{
"type": "I/SigI",
"value": 61.05
},
{
"type": "Completeness",
"value": 99.96
},
{
"type": "Redundancy",
"value": 6.59
}
]
},
{
"resolution_limits": [96.91,5.38],
"number_observations": 15694,
"number_observations_unique": 2391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.03
},
{
"type": "I/SigI",
"value": 60.47
},
{
"type": "Completeness",
"value": 99.93
},
{
"type": "Redundancy",
"value": 6.56
}
]
}
]
}