Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "25b2f52388f4e33e938cc2236acd1865",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 208.17,
"b": 102.71,
"c": 86.90,
"alpha": 90.00,
"beta": 102.48,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.6],
"number_observations_unique": 201996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 10.48
},
{
"type": "Completeness",
"value": 86.1
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.7,1.60],
"number_observations_unique": 16309,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.47700000000000004
},
{
"type": "R(meas)",
"value": 0.612
},
{
"type": "CC(1/2)",
"value": 0.735
}
]
},
{
"resolution_limits": [1.9,1.70],
"number_observations_unique": 45741,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.29
},
{
"type": "R(meas)",
"value": 0.35
},
{
"type": "CC(1/2)",
"value": 0.9209999999999999
}
]
},
{
"resolution_limits": [2.3,1.90],
"number_observations_unique": 60843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "CC(1/2)",
"value": 0.9840000000000001
}
]
},
{
"resolution_limits": [2.9,2.30],
"number_observations_unique": 39513,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.07200000000000001
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.8,2.90],
"number_observations_unique": 21864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "CC(1/2)",
"value": 0.9940000000000001
}
]
},
{
"resolution_limits": [4.6,3.80],
"number_observations_unique": 7680,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "CC(1/2)",
"value": 0.9940000000000001
}
]
},
{
"resolution_limits": [5.7,4.60],
"number_observations_unique": 4728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [8.0,5.70],
"number_observations_unique": 3367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052000000000000005
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [12.0,8.00],
"number_observations_unique": 1365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.055999999999999994
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [50.0,12.00],
"number_observations_unique": 586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}