Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "41cdd5c9c24436b9712a396148b51399",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 208.85,
"b": 102.79,
"c": 86.82,
"alpha": 90.00,
"beta": 102.48,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.,1.35],
"number_observations_unique": 388628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052000000000000005
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 11.09
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
"refln_shells": [
{
"resolution_limits": [1.45,1.35],
"number_observations_unique": 74657,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.018
},
{
"type": "R(meas)",
"value": 1.232
},
{
"type": "CC(1/2)",
"value": 0.473
}
]
},
{
"resolution_limits": [1.65,1.45],
"number_observations_unique": 100714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.40399999999999997
},
{
"type": "R(meas)",
"value": 0.48100000000000004
},
{
"type": "CC(1/2)",
"value": 0.88
}
]
},
{
"resolution_limits": [1.95,1.65],
"number_observations_unique": 83888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.165
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.25,1.95],
"number_observations_unique": 44956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "CC(1/2)",
"value": 0.9940000000000001
}
]
},
{
"resolution_limits": [2.8,2.25],
"number_observations_unique": 40572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.5,2.80],
"number_observations_unique": 21262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.6,3.50],
"number_observations_unique": 12539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.03
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.7,4.60],
"number_observations_unique": 4753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027000000000000003
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [8.0,5.70],
"number_observations_unique": 3382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.03
},
{
"type": "R(meas)",
"value": 0.036000000000000004
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [12.0,8.00],
"number_observations_unique": 1351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.03
},
{
"type": "R(meas)",
"value": 0.036000000000000004
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.0,12.00],
"number_observations_unique": 554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036000000000000004
},
{
"type": "R(meas)",
"value": 0.044000000000000004
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}