Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "45b09ecb8263b16d0a3d438c31a286be",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 67.55,
"b": 106.33,
"c": 86.41,
"alpha": 90.00,
"beta": 96.55,
"gamma": 90.00
},
"wavelengths": [0.97700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.59,1.45],
"number_observations_unique": 212119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.168
},
{
"type": "I/SigI",
"value": 8.84
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.49,1.45],
"number_observations_unique": 15687,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.123
},
{
"type": "R(meas)",
"value": 2.292
},
{
"type": "CC(1/2)",
"value": 0.138
}
]
},
{
"resolution_limits": [1.53,1.49],
"number_observations_unique": 15228,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.92
},
{
"type": "R(meas)",
"value": 2.072
},
{
"type": "CC(1/2)",
"value": 0.213
}
]
},
{
"resolution_limits": [1.57,1.53],
"number_observations_unique": 14855,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.716
},
{
"type": "R(meas)",
"value": 1.854
},
{
"type": "CC(1/2)",
"value": 0.318
}
]
},
{
"resolution_limits": [1.62,1.57],
"number_observations_unique": 14331,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.463
},
{
"type": "R(meas)",
"value": 1.582
},
{
"type": "CC(1/2)",
"value": 0.429
}
]
},
{
"resolution_limits": [1.67,1.62],
"number_observations_unique": 13937,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.309
},
{
"type": "R(meas)",
"value": 1.421
},
{
"type": "CC(1/2)",
"value": 0.517
}
]
},
{
"resolution_limits": [1.73,1.67],
"number_observations_unique": 13403,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.06
},
{
"type": "R(meas)",
"value": 1.152
},
{
"type": "CC(1/2)",
"value": 0.645
}
]
},
{
"resolution_limits": [1.8,1.73],
"number_observations_unique": 13075,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.834
},
{
"type": "R(meas)",
"value": 0.898
},
{
"type": "CC(1/2)",
"value": 0.793
}
]
},
{
"resolution_limits": [1.87,1.80],
"number_observations_unique": 12656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.65
},
{
"type": "R(meas)",
"value": 0.7
},
{
"type": "CC(1/2)",
"value": 0.879
}
]
},
{
"resolution_limits": [1.96,1.87],
"number_observations_unique": 12063,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.496
},
{
"type": "R(meas)",
"value": 0.534
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [2.05,1.96],
"number_observations_unique": 11538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.39
},
{
"type": "R(meas)",
"value": 0.421
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [2.16,2.05],
"number_observations_unique": 10915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.293
},
{
"type": "R(meas)",
"value": 0.316
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [2.29,2.16],
"number_observations_unique": 10358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "R(meas)",
"value": 0.253
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.45,2.29],
"number_observations_unique": 9656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "CC(1/2)",
"value": 0.99
}
]
},
{
"resolution_limits": [2.65,2.45],
"number_observations_unique": 9170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.9,2.65],
"number_observations_unique": 8433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.11
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.24,2.90],
"number_observations_unique": 7649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.08
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.74,3.24],
"number_observations_unique": 6719,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.59,3.74],
"number_observations_unique": 5542,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.04
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.48,4.59],
"number_observations_unique": 4430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [49.59,6.48],
"number_observations_unique": 2474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}