Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "adb8736ff4decb4cee1264fb6b63f56b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 119.36,
"b": 39.48,
"c": 68.23,
"alpha": 90.00,
"beta": 95.37,
"gamma": 90.00
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.1],
"number_observations_unique": 117659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036000000000000004
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 13.75
},
{
"type": "Completeness",
"value": 91.5
},
{
"type": "Redundancy",
"value": 3.8
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
"refln_shells": [
{
"resolution_limits": [1.13,1.10],
"number_observations_unique": 8066,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.6130000000000002
},
{
"type": "R(meas)",
"value": 1.8619999999999999
},
{
"type": "CC(1/2)",
"value": 0.605
}
]
},
{
"resolution_limits": [1.16,1.13],
"number_observations_unique": 8024,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.117
},
{
"type": "R(meas)",
"value": 1.294
},
{
"type": "CC(1/2)",
"value": 0.7070000000000001
}
]
},
{
"resolution_limits": [1.19,1.16],
"number_observations_unique": 7900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.8640000000000001
},
{
"type": "R(meas)",
"value": 1.003
},
{
"type": "CC(1/2)",
"value": 0.7959999999999999
}
]
},
{
"resolution_limits": [1.23,1.19],
"number_observations_unique": 7520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.682
},
{
"type": "R(meas)",
"value": 0.792
},
{
"type": "CC(1/2)",
"value": 0.831
}
]
},
{
"resolution_limits": [1.27,1.23],
"number_observations_unique": 7627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.5670000000000001
},
{
"type": "R(meas)",
"value": 0.653
},
{
"type": "CC(1/2)",
"value": 0.8909999999999999
}
]
},
{
"resolution_limits": [1.31,1.27],
"number_observations_unique": 7499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.418
},
{
"type": "R(meas)",
"value": 0.48200000000000004
},
{
"type": "CC(1/2)",
"value": 0.932
}
]
},
{
"resolution_limits": [1.36,1.31],
"number_observations_unique": 7373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.321
},
{
"type": "R(meas)",
"value": 0.37
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
{
"resolution_limits": [1.42,1.36],
"number_observations_unique": 7052,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.242
},
{
"type": "R(meas)",
"value": 0.28
},
{
"type": "CC(1/2)",
"value": 0.9690000000000001
}
]
},
{
"resolution_limits": [1.48,1.42],
"number_observations_unique": 6500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.192
},
{
"type": "CC(1/2)",
"value": 0.9840000000000001
}
]
},
{
"resolution_limits": [1.56,1.48],
"number_observations_unique": 6654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.11699999999999999
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [1.64,1.56],
"number_observations_unique": 6325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.74,1.64],
"number_observations_unique": 6000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.07400000000000001
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.86,1.74],
"number_observations_unique": 5626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.01,1.86],
"number_observations_unique": 5103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.2,2.01],
"number_observations_unique": 4717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.037000000000000005
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.46,2.20],
"number_observations_unique": 4465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027999999999999997
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.84,2.46],
"number_observations_unique": 3923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026000000000000002
},
{
"type": "R(meas)",
"value": 0.03
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [3.48,2.84],
"number_observations_unique": 3278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027999999999999997
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [4.92,3.48],
"number_observations_unique": 2508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022000000000000002
},
{
"type": "R(meas)",
"value": 0.026000000000000002
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
}
]
}