Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "45792238262b4cab796a7294eb9dc7c5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 69.37,
"b": 80.82,
"c": 101.47,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97845],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.760,1.990],
"number_observations_unique": 39369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 7.120
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 4.84
}
]
},
"refln_shells": [
{
"resolution_limits": [2.08,2.01],
"number_observations": 15433,
"number_observations_unique": 6247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.657
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 84.70
}
]
},
{
"resolution_limits": [2.17,2.08],
"number_observations": 20710,
"number_observations_unique": 8025,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.491
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 98.00
}
]
},
{
"resolution_limits": [2.26,2.17],
"number_observations": 17653,
"number_observations_unique": 6838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.403
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Completeness",
"value": 97.80
}
]
},
{
"resolution_limits": [2.38,2.26],
"number_observations": 19405,
"number_observations_unique": 7481,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.321
},
{
"type": "I/SigI",
"value": 3.3
},
{
"type": "Completeness",
"value": 98.20
}
]
},
{
"resolution_limits": [2.53,2.38],
"number_observations": 19618,
"number_observations_unique": 7558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "I/SigI",
"value": 4.1
},
{
"type": "Completeness",
"value": 98.40
}
]
},
{
"resolution_limits": [2.73,2.53],
"number_observations": 19805,
"number_observations_unique": 7625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "I/SigI",
"value": 5.3
},
{
"type": "Completeness",
"value": 98.40
}
]
},
{
"resolution_limits": [3.00,2.73],
"number_observations": 19247,
"number_observations_unique": 7372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 6.8
},
{
"type": "Completeness",
"value": 98.40
}
]
},
{
"resolution_limits": [3.43,3.00],
"number_observations": 19355,
"number_observations_unique": 7431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 10.2
},
{
"type": "Completeness",
"value": 98.40
}
]
},
{
"resolution_limits": [4.32,3.43],
"number_observations": 19593,
"number_observations_unique": 7504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 15.4
},
{
"type": "Completeness",
"value": 98.20
}
]
},
{
"resolution_limits": [28.760,4.32],
"number_observations": 19702,
"number_observations_unique": 7493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 18.5
},
{
"type": "Completeness",
"value": 97.40
}
]
}
]
}