Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0fd02176f2c7246b7c09a478008fa4ca",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 140.381,
"b": 153.454,
"c": 217.166,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.93900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [125.323,2.800],
"number_observations_unique": 115849,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 24.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.950,2.800],
"number_observations": 193533,
"number_observations_unique": 16726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.431
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.600
}
]
},
{
"resolution_limits": [3.130,2.950],
"number_observations": 191634,
"number_observations_unique": 15867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.295
},
{
"type": "I/SigI",
"value": 2.7
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.100
}
]
},
{
"resolution_limits": [3.350,3.130],
"number_observations": 180315,
"number_observations_unique": 14932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.100
}
]
},
{
"resolution_limits": [3.610,3.350],
"number_observations": 164358,
"number_observations_unique": 13908,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 6.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.800
}
]
},
{
"resolution_limits": [3.960,3.610],
"number_observations": 147053,
"number_observations_unique": 12828,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 8.2
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.500
}
]
},
{
"resolution_limits": [4.430,3.960],
"number_observations": 139644,
"number_observations_unique": 11667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 11.8
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.000
}
]
},
{
"resolution_limits": [5.110,4.430],
"number_observations": 124609,
"number_observations_unique": 10301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 13.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.100
}
]
},
{
"resolution_limits": [6.260,5.110],
"number_observations": 108502,
"number_observations_unique": 8805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 13.1
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.300
}
]
},
{
"resolution_limits": [8.850,6.260],
"number_observations": 83253,
"number_observations_unique": 6886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 14.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.100
}
]
},
{
"resolution_limits": [49.300,8.850],
"number_observations": 46167,
"number_observations_unique": 3929,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 18.9
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 11.800
}
]
}
]
}