Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bbab525b31074761ddd74f128b6eef1e",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 65.465,
"b": 110.462,
"c": 353.654,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97853],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.49],
"number_observations_unique": 89611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.08688
},
{
"type": "R(meas)",
"value": 0.09387
},
{
"type": "R(pim)",
"value": 0.03505
},
{
"type": "I/SigI",
"value": 14.47
},
{
"type": "Completeness",
"value": 98.04
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.58,2.49],
"number_observations_unique": 8873,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.634
},
{
"type": "R(meas)",
"value": 0.7008
},
{
"type": "R(pim)",
"value": 0.2921
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 98.72
},
{
"type": "Redundancy",
"value": 5.5
},
{
"type": "CC(1/2)",
"value": 0.89
}
]
},
{
"resolution_limits": [2.63,2.58],
"number_observations_unique": 7509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.484
},
{
"type": "Completeness",
"value": 97.2
},
{
"type": "Redundancy",
"value": 2.6
}
]
},
{
"resolution_limits": [2.68,2.63],
"number_observations_unique": 7634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.392
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 2.8
}
]
},
{
"resolution_limits": [2.74,2.68],
"number_observations_unique": 7569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.343
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 2.9
}
]
},
{
"resolution_limits": [2.80,2.74],
"number_observations_unique": 7637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.306
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 2.8
}
]
},
{
"resolution_limits": [2.86,2.80],
"number_observations_unique": 7533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "Completeness",
"value": 97.8
},
{
"type": "Redundancy",
"value": 2.8
}
]
},
{
"resolution_limits": [2.93,2.86],
"number_observations_unique": 7657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "Completeness",
"value": 98.1
},
{
"type": "Redundancy",
"value": 2.8
}
]
},
{
"resolution_limits": [3.01,2.93],
"number_observations_unique": 7578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 2.9
}
]
},
{
"resolution_limits": [3.10,3.01],
"number_observations_unique": 7610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "Completeness",
"value": 98.1
},
{
"type": "Redundancy",
"value": 2.8
}
]
},
{
"resolution_limits": [3.20,3.10],
"number_observations_unique": 7651,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 2.7
}
]
},
{
"resolution_limits": [3.31,3.20],
"number_observations_unique": 7625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 2.8
}
]
},
{
"resolution_limits": [3.45,3.31],
"number_observations_unique": 7630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 2.8
}
]
},
{
"resolution_limits": [3.60,3.45],
"number_observations_unique": 7644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 2.8
}
]
},
{
"resolution_limits": [3.79,3.60],
"number_observations_unique": 7646,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 2.8
}
]
},
{
"resolution_limits": [4.03,3.79],
"number_observations_unique": 7603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 98.1
},
{
"type": "Redundancy",
"value": 2.7
}
]
},
{
"resolution_limits": [4.34,4.03],
"number_observations_unique": 7559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 98.1
},
{
"type": "Redundancy",
"value": 2.9
}
]
},
{
"resolution_limits": [4.78,4.34],
"number_observations_unique": 7587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 2.8
}
]
},
{
"resolution_limits": [5.47,4.78],
"number_observations_unique": 7668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 2.8
}
]
},
{
"resolution_limits": [6.89,5.47],
"number_observations_unique": 7607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 2.8
}
]
},
{
"resolution_limits": [50.00,6.89],
"number_observations_unique": 7651,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 2.8
}
]
}
]
}