Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b1cf1e43ec6d1e5944d15fc745d6a43f",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 38.80,
"b": 119.16,
"c": 146.71,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.72660],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [92.495,3.000],
"number_observations": 25156,
"number_observations_unique": 6444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
"refln_shells": [
{
"resolution_limits": [3.17,3.00],
"number_observations": 3637,
"number_observations_unique": 918,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "R(meas)",
"value": 0.32
},
{
"type": "R(pim)",
"value": 0.16
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 92.00
},
{
"type": "Redundancy",
"value": 4.00
}
]
},
{
"resolution_limits": [3.36,3.17],
"number_observations": 3500,
"number_observations_unique": 895,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.18
},
{
"type": "R(pim)",
"value": 0.09
},
{
"type": "I/SigI",
"value": 4.7
},
{
"type": "Completeness",
"value": 92.80
},
{
"type": "Redundancy",
"value": 3.90
}
]
},
{
"resolution_limits": [3.59,3.36],
"number_observations": 3330,
"number_observations_unique": 847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.14
},
{
"type": "R(pim)",
"value": 0.07
},
{
"type": "I/SigI",
"value": 5.6
},
{
"type": "Completeness",
"value": 92.60
},
{
"type": "Redundancy",
"value": 3.90
}
]
},
{
"resolution_limits": [3.88,3.59],
"number_observations": 3083,
"number_observations_unique": 773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.10
},
{
"type": "R(pim)",
"value": 0.05
},
{
"type": "I/SigI",
"value": 7.8
},
{
"type": "Completeness",
"value": 90.90
},
{
"type": "Redundancy",
"value": 4.00
}
]
},
{
"resolution_limits": [4.25,3.88],
"number_observations": 2816,
"number_observations_unique": 726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.08
},
{
"type": "R(pim)",
"value": 0.04
},
{
"type": "I/SigI",
"value": 9.5
},
{
"type": "Completeness",
"value": 93.60
},
{
"type": "Redundancy",
"value": 3.90
}
]
},
{
"resolution_limits": [4.75,4.25],
"number_observations": 2567,
"number_observations_unique": 658,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.08
},
{
"type": "R(pim)",
"value": 0.04
},
{
"type": "I/SigI",
"value": 9.4
},
{
"type": "Completeness",
"value": 92.10
},
{
"type": "Redundancy",
"value": 3.90
}
]
},
{
"resolution_limits": [5.48,4.75],
"number_observations": 2218,
"number_observations_unique": 569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.08
},
{
"type": "R(pim)",
"value": 0.04
},
{
"type": "I/SigI",
"value": 9.7
},
{
"type": "Completeness",
"value": 90.30
},
{
"type": "Redundancy",
"value": 3.90
}
]
},
{
"resolution_limits": [6.72,5.48],
"number_observations": 1808,
"number_observations_unique": 483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.07
},
{
"type": "R(pim)",
"value": 0.04
},
{
"type": "I/SigI",
"value": 11.5
},
{
"type": "Completeness",
"value": 89.60
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [9.50,6.72],
"number_observations": 1357,
"number_observations_unique": 361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.06
},
{
"type": "R(pim)",
"value": 0.03
},
{
"type": "I/SigI",
"value": 9.9
},
{
"type": "Completeness",
"value": 84.60
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [59.58,9.50],
"number_observations": 840,
"number_observations_unique": 214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.06
},
{
"type": "R(pim)",
"value": 0.03
},
{
"type": "I/SigI",
"value": 11.7
},
{
"type": "Completeness",
"value": 85.30
},
{
"type": "Redundancy",
"value": 3.90
}
]
}
]
}