Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c8f2fe0d0111710c4f95f691744eba80",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.74,
"b": 81.42,
"c": 131.41,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.940,1.600],
"number_observations_unique": 64881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.190
}
]
},
"refln_shells": [
{
"resolution_limits": [1.66,1.60],
"number_observations": 22970,
"number_observations_unique": 6480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.324
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.54
}
]
},
{
"resolution_limits": [1.72,1.66],
"number_observations": 24212,
"number_observations_unique": 6465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.280
},
{
"type": "I/SigI",
"value": 3.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.74
}
]
},
{
"resolution_limits": [1.80,1.72],
"number_observations": 25979,
"number_observations_unique": 6493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.225
},
{
"type": "I/SigI",
"value": 4.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.99
}
]
},
{
"resolution_limits": [1.90,1.80],
"number_observations": 28408,
"number_observations_unique": 6487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "I/SigI",
"value": 5.3
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 4.36
}
]
},
{
"resolution_limits": [2.02,1.90],
"number_observations": 29234,
"number_observations_unique": 6493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 7.1
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 4.47
}
]
},
{
"resolution_limits": [2.17,2.02],
"number_observations": 29431,
"number_observations_unique": 6509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 9.2
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 4.50
}
]
},
{
"resolution_limits": [2.39,2.17],
"number_observations": 29195,
"number_observations_unique": 6477,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 11.4
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 4.46
}
]
},
{
"resolution_limits": [2.73,2.39],
"number_observations": 28851,
"number_observations_unique": 6483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 14.5
},
{
"type": "Completeness",
"value": 98.50
},
{
"type": "Redundancy",
"value": 4.41
}
]
},
{
"resolution_limits": [3.44,2.73],
"number_observations": 28214,
"number_observations_unique": 6475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 20.8
},
{
"type": "Completeness",
"value": 97.50
},
{
"type": "Redundancy",
"value": 4.31
}
]
},
{
"resolution_limits": [19.94,3.44],
"number_observations": 27595,
"number_observations_unique": 6519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 32.7
},
{
"type": "Completeness",
"value": 94.20
},
{
"type": "Redundancy",
"value": 4.15
}
]
}
]
}