Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "82f145d8bcdbc9d4b3c3a79f131d4830",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 53.31,
"b": 54.76,
"c": 82.76,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.174,2.01],
"number_observations_unique": 16087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 2.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.12,2.01],
"number_observations": 5277,
"number_observations_unique": 2155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.316
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 90.70
},
{
"type": "Redundancy",
"value": 2.40
}
]
},
{
"resolution_limits": [2.25,2.12],
"number_observations": 5539,
"number_observations_unique": 2204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.242
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 97.50
},
{
"type": "Redundancy",
"value": 2.50
}
]
},
{
"resolution_limits": [2.40,2.25],
"number_observations": 5272,
"number_observations_unique": 2078,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "I/SigI",
"value": 3.7
},
{
"type": "Completeness",
"value": 97.80
},
{
"type": "Redundancy",
"value": 2.50
}
]
},
{
"resolution_limits": [2.60,2.40],
"number_observations": 5008,
"number_observations_unique": 1963,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 3.8
},
{
"type": "Completeness",
"value": 98.70
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [2.84,2.60],
"number_observations": 4627,
"number_observations_unique": 1822,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "I/SigI",
"value": 3.3
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 2.50
}
]
},
{
"resolution_limits": [3.18,2.84],
"number_observations": 4292,
"number_observations_unique": 1669,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 6.6
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [3.67,3.18],
"number_observations": 3812,
"number_observations_unique": 1478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 8.7
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [4.50,3.67],
"number_observations": 3276,
"number_observations_unique": 1251,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 10.7
},
{
"type": "Completeness",
"value": 98.50
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [6.36,4.50],
"number_observations": 2509,
"number_observations_unique": 954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 11.7
},
{
"type": "Completeness",
"value": 97.10
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [24.50,6.36],
"number_observations": 1315,
"number_observations_unique": 513,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 6.6
},
{
"type": "Completeness",
"value": 90.70
},
{
"type": "Redundancy",
"value": 2.60
}
]
}
]
}