Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b7a4706ff63ea2ff3f465f5b2778c2bc",
"space_group_name": "P 42 21 2",
"unit_cell": {
"a": 103.32,
"b": 103.32,
"c": 96.69,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97927,0.97920,0.91162,0.97898],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.488,1.65],
"number_observations_unique": 63319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 14.570
},
{
"type": "Completeness",
"value": 96.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.71,1.65],
"number_observations": 40847,
"number_observations_unique": 10838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.626
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 88.70
}
]
},
{
"resolution_limits": [1.78,1.71],
"number_observations": 43134,
"number_observations_unique": 11356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.501
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 92.50
}
]
},
{
"resolution_limits": [1.86,1.78],
"number_observations": 42536,
"number_observations_unique": 11161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.359
},
{
"type": "I/SigI",
"value": 4.0
},
{
"type": "Completeness",
"value": 94.30
}
]
},
{
"resolution_limits": [1.96,1.86],
"number_observations": 44874,
"number_observations_unique": 11774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.251
},
{
"type": "I/SigI",
"value": 5.6
},
{
"type": "Completeness",
"value": 96.30
}
]
},
{
"resolution_limits": [2.08,1.96],
"number_observations": 43794,
"number_observations_unique": 11413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "I/SigI",
"value": 8.2
},
{
"type": "Completeness",
"value": 97.30
}
]
},
{
"resolution_limits": [2.24,2.08],
"number_observations": 45413,
"number_observations_unique": 11806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 11.6
},
{
"type": "Completeness",
"value": 98.50
}
]
},
{
"resolution_limits": [2.46,2.24],
"number_observations": 44885,
"number_observations_unique": 11642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 15.2
},
{
"type": "Completeness",
"value": 99.00
}
]
},
{
"resolution_limits": [2.82,2.46],
"number_observations": 46780,
"number_observations_unique": 12144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 20.1
},
{
"type": "Completeness",
"value": 99.30
}
]
},
{
"resolution_limits": [29.488,2.82],
"number_observations": 46223,
"number_observations_unique": 11964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 30.9
},
{
"type": "Completeness",
"value": 99.40
}
]
}
]
}