Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "831d70c2c29d1d756ee73a24e84a42eb",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 93.83,
"b": 109.33,
"c": 150.11,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11580],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100,1.570],
"number_observations_unique": 199455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 26.300
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 8.6
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.570],
"number_observations": 174962,
"number_observations_unique": 32723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.462
},
{
"type": "I/SigI",
"value": 3.750
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [1.780,1.660],
"number_observations": 194761,
"number_observations_unique": 34049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.258
},
{
"type": "I/SigI",
"value": 6.940
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.920,1.780],
"number_observations": 135246,
"number_observations_unique": 24092,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 11.190
},
{
"type": "Completeness",
"value": 80.900
}
]
},
{
"resolution_limits": [2.100,1.920],
"number_observations": 257629,
"number_observations_unique": 23103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 22.010
},
{
"type": "Completeness",
"value": 83.900
}
]
},
{
"resolution_limits": [2.350,2.100],
"number_observations": 228208,
"number_observations_unique": 20541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 30.900
},
{
"type": "Completeness",
"value": 80.000
}
]
},
{
"resolution_limits": [2.710,2.350],
"number_observations": 256138,
"number_observations_unique": 22324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 42.410
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.320,2.710],
"number_observations": 216316,
"number_observations_unique": 19200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 52.350
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.690,3.320],
"number_observations": 157960,
"number_observations_unique": 14940,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 62.500
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [100.000,4.690],
"number_observations": 87273,
"number_observations_unique": 8483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 69.290
},
{
"type": "Completeness",
"value": 99.600
}
]
}
]
}