Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7414bc8cedaf5d19e019f80cdbd709a5",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 58.456,
"b": 58.456,
"c": 126.278,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.800,1.700],
"number_observations_unique": 24639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.330
}
]
},
"refln_shells": [
{
"resolution_limits": [1.76,1.70],
"number_observations": 14593,
"number_observations_unique": 2423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "I/SigI",
"value": 7.7
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 5.86
}
]
},
{
"resolution_limits": [1.83,1.76],
"number_observations": 15207,
"number_observations_unique": 2434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 10.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.23
}
]
},
{
"resolution_limits": [1.91,1.83],
"number_observations": 15392,
"number_observations_unique": 2438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 12.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.28
}
]
},
{
"resolution_limits": [2.01,1.91],
"number_observations": 15631,
"number_observations_unique": 2470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 16.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.29
}
]
},
{
"resolution_limits": [2.14,2.01],
"number_observations": 15561,
"number_observations_unique": 2446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 18.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.32
}
]
},
{
"resolution_limits": [2.31,2.14],
"number_observations": 15773,
"number_observations_unique": 2455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 22.8
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 6.36
}
]
},
{
"resolution_limits": [2.54,2.31],
"number_observations": 16195,
"number_observations_unique": 2493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 28.4
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 6.48
}
]
},
{
"resolution_limits": [2.90,2.54],
"number_observations": 16265,
"number_observations_unique": 2482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 29.7
},
{
"type": "Completeness",
"value": 99.20
},
{
"type": "Redundancy",
"value": 6.54
}
]
},
{
"resolution_limits": [3.65,2.90],
"number_observations": 16539,
"number_observations_unique": 2510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 36.4
},
{
"type": "Completeness",
"value": 98.20
},
{
"type": "Redundancy",
"value": 6.56
}
]
},
{
"resolution_limits": [19.80,3.65],
"number_observations": 16630,
"number_observations_unique": 2576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 44.1
},
{
"type": "Completeness",
"value": 95.00
},
{
"type": "Redundancy",
"value": 6.41
}
]
}
]
}