Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "879de021608d6298d933c0af5413ad11",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 35.466,
"b": 74.766,
"c": 96.287,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.45890],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30,1.95],
"number_observations_unique": 19254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 10
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 5.8
}
]
},
"refln_shells": [
{
"resolution_limits": [2.02,1.95],
"number_observations_unique": 1880,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.438
},
{
"type": "I/SigI",
"value": 2.63
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 4.7
}
]
},
{
"resolution_limits": [2.10,2.02],
"number_observations_unique": 1974,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.397
},
{
"type": "I/SigI",
"value": 3.10
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 4.9
}
]
},
{
"resolution_limits": [2.20,2.10],
"number_observations_unique": 1891,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.296
},
{
"type": "I/SigI",
"value": 4.31
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 5.5
}
]
},
{
"resolution_limits": [2.31,2.20],
"number_observations_unique": 1871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "I/SigI",
"value": 4.95
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 5.8
}
]
},
{
"resolution_limits": [2.46,2.31],
"number_observations_unique": 1908,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "I/SigI",
"value": 7.07
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.1
}
]
},
{
"resolution_limits": [2.65,2.46],
"number_observations_unique": 1926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "I/SigI",
"value": 6.38
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.3
}
]
},
{
"resolution_limits": [2.91,2.65],
"number_observations_unique": 1929,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "I/SigI",
"value": 9.54
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.3
}
]
},
{
"resolution_limits": [3.33,2.91],
"number_observations_unique": 1938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "I/SigI",
"value": 6.90
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.1
}
]
},
{
"resolution_limits": [4.2,3.33],
"number_observations_unique": 1955,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.09
},
{
"type": "I/SigI",
"value": 14.91
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.1
}
]
},
{
"resolution_limits": [30,4.2],
"number_observations_unique": 2082,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.07
},
{
"type": "I/SigI",
"value": 17.24
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 5.8
}
]
}
]
}