Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "773e883a1e54f452d52ee44357cd3b67",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 72.94,
"b": 62.27,
"c": 89.71,
"alpha": 90.00,
"beta": 109.03,
"gamma": 90.00
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.8960,1.900],
"number_observations_unique": 60000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 7.110
},
{
"type": "Completeness",
"value": 99.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.900],
"number_observations": 15150,
"number_observations_unique": 4416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.501
},
{
"type": "I/SigI",
"value": 2.670
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [2.000,1.950],
"number_observations": 14850,
"number_observations_unique": 4275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.409
},
{
"type": "I/SigI",
"value": 3.330
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [2.060,2.000],
"number_observations": 14617,
"number_observations_unique": 4157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.358
},
{
"type": "I/SigI",
"value": 3.820
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.120,2.060],
"number_observations": 14382,
"number_observations_unique": 4076,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.308
},
{
"type": "I/SigI",
"value": 4.460
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.190,2.120],
"number_observations": 14030,
"number_observations_unique": 3919,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.279
},
{
"type": "I/SigI",
"value": 4.910
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.270,2.190],
"number_observations": 13728,
"number_observations_unique": 3836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "I/SigI",
"value": 5.520
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.360,2.270],
"number_observations": 13300,
"number_observations_unique": 3692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "I/SigI",
"value": 6.050
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.450,2.360],
"number_observations": 12803,
"number_observations_unique": 3547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "I/SigI",
"value": 6.640
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.560,2.450],
"number_observations": 12131,
"number_observations_unique": 3392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "I/SigI",
"value": 7.080
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.690,2.560],
"number_observations": 11647,
"number_observations_unique": 3265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.830,2.690],
"number_observations": 11084,
"number_observations_unique": 3119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "I/SigI",
"value": 8.270
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.000,2.830],
"number_observations": 10325,
"number_observations_unique": 2959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 9.160
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.210,3.000],
"number_observations": 9414,
"number_observations_unique": 2748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 10.150
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.470,3.210],
"number_observations": 8518,
"number_observations_unique": 2569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 10.760
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [3.800,3.470],
"number_observations": 7568,
"number_observations_unique": 2357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 11.290
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [4.250,3.800],
"number_observations": 7156,
"number_observations_unique": 2151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 11.950
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [4.910,4.250],
"number_observations": 6622,
"number_observations_unique": 1913,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 12.620
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [6.010,4.910],
"number_observations": 5768,
"number_observations_unique": 1642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 12.340
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [8.500,6.010],
"number_observations": 4459,
"number_observations_unique": 1249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 12.630
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [42.8960,8.500],
"number_observations": 2486,
"number_observations_unique": 718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 13.170
},
{
"type": "Completeness",
"value": 97.000
}
]
}
]
}