Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "84bbe3379c18cf4a51803e5cbc8ddd78",
"space_group_name": "P 63",
"unit_cell": {
"a": 89.23,
"b": 89.23,
"c": 62.67,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.210,2.000],
"number_observations_unique": 19294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.570
}
]
},
"refln_shells": [
{
"resolution_limits": [2.07,2.00],
"number_observations": 10523,
"number_observations_unique": 1920,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.516
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 99.20
},
{
"type": "Redundancy",
"value": 5.43
}
]
},
{
"resolution_limits": [2.15,2.07],
"number_observations": 10403,
"number_observations_unique": 1888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.455
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 5.45
}
]
},
{
"resolution_limits": [2.25,2.15],
"number_observations": 10676,
"number_observations_unique": 1923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.388
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 5.51
}
]
},
{
"resolution_limits": [2.37,2.25],
"number_observations": 10807,
"number_observations_unique": 1929,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.342
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 5.57
}
]
},
{
"resolution_limits": [2.52,2.37],
"number_observations": 10664,
"number_observations_unique": 1916,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.289
},
{
"type": "I/SigI",
"value": 4.0
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 5.52
}
]
},
{
"resolution_limits": [2.71,2.52],
"number_observations": 10814,
"number_observations_unique": 1921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "I/SigI",
"value": 4.6
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 5.59
}
]
},
{
"resolution_limits": [2.99,2.71],
"number_observations": 10906,
"number_observations_unique": 1937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 6.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.59
}
]
},
{
"resolution_limits": [3.42,2.99],
"number_observations": 11073,
"number_observations_unique": 1938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 10.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.69
}
]
},
{
"resolution_limits": [4.30,3.42],
"number_observations": 11151,
"number_observations_unique": 1939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 17.9
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 5.73
}
]
},
{
"resolution_limits": [29.21,4.30],
"number_observations": 11188,
"number_observations_unique": 1983,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 23.5
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 5.58
}
]
}
]
}