Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "534ffcd63662f38d98480708ce7c43e3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 56.39,
"b": 56.05,
"c": 84.30,
"alpha": 90.00,
"beta": 97.75,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.53,2.726],
"number_observations_unique": 25922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.07
},
{
"type": "R(meas)",
"value": 0.09699999999999999
},
{
"type": "I/SigI",
"value": 6.64
},
{
"type": "Completeness",
"value": 95.0
},
{
"type": "Redundancy",
"value": 1.8
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.8,2.73],
"number_observations_unique": 2007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.507
},
{
"type": "R(meas)",
"value": 0.695
},
{
"type": "CC(1/2)",
"value": 0.695
}
]
},
{
"resolution_limits": [2.87,2.80],
"number_observations_unique": 1871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.382
},
{
"type": "R(meas)",
"value": 0.524
},
{
"type": "CC(1/2)",
"value": 0.795
}
]
},
{
"resolution_limits": [2.96,2.87],
"number_observations_unique": 1873,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.28300000000000003
},
{
"type": "R(meas)",
"value": 0.39
},
{
"type": "CC(1/2)",
"value": 0.887
}
]
},
{
"resolution_limits": [3.05,2.96],
"number_observations_unique": 1783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "R(meas)",
"value": 0.315
},
{
"type": "CC(1/2)",
"value": 0.905
}
]
},
{
"resolution_limits": [3.15,3.05],
"number_observations_unique": 1737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(meas)",
"value": 0.264
},
{
"type": "CC(1/2)",
"value": 0.9329999999999999
}
]
},
{
"resolution_limits": [3.26,3.15],
"number_observations_unique": 1632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.21600000000000003
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [3.38,3.26],
"number_observations_unique": 1583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.19
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [3.52,3.38],
"number_observations_unique": 1580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.11199999999999999
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "CC(1/2)",
"value": 0.97
}
]
},
{
"resolution_limits": [3.68,3.52],
"number_observations_unique": 1430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.09300000000000001
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [3.86,3.68],
"number_observations_unique": 1387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "CC(1/2)",
"value": 0.9840000000000001
}
]
},
{
"resolution_limits": [4.06,3.86],
"number_observations_unique": 1345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.31,4.06],
"number_observations_unique": 1248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059000000000000004
},
{
"type": "R(meas)",
"value": 0.08199999999999999
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.61,4.31],
"number_observations_unique": 1168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054000000000000006
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [4.98,4.61],
"number_observations_unique": 1104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044000000000000004
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.45,4.98],
"number_observations_unique": 993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [6.1,5.45],
"number_observations_unique": 909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "CC(1/2)",
"value": 0.9890000000000001
}
]
},
{
"resolution_limits": [7.04,6.10],
"number_observations_unique": 804,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [8.62,7.04],
"number_observations_unique": 670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040999999999999995
},
{
"type": "R(meas)",
"value": 0.057999999999999996
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [12.19,8.62],
"number_observations_unique": 513,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.05
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [83.53,12.19],
"number_observations_unique": 285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.059000000000000004
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}