Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "067d0ab7692dbc49eb32d7143213e6a0",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 113.65,
"b": 113.65,
"c": 88.31,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.79,1.65],
"number_observations_unique": 152349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 12.76
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 11.1
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
"refln_shells": [
{
"resolution_limits": [1.75,1.65],
"number_observations_unique": 24379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.9059999999999999
},
{
"type": "R(meas)",
"value": 1.0
},
{
"type": "CC(1/2)",
"value": 0.74
}
]
},
{
"resolution_limits": [1.87,1.75],
"number_observations_unique": 23249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.5770000000000001
},
{
"type": "R(meas)",
"value": 0.635
},
{
"type": "CC(1/2)",
"value": 0.867
}
]
},
{
"resolution_limits": [2.02,1.87],
"number_observations_unique": 21544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.325
},
{
"type": "R(meas)",
"value": 0.358
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [2.22,2.02],
"number_observations_unique": 19883,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "R(meas)",
"value": 0.20199999999999999
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.48,2.22],
"number_observations_unique": 17973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.11900000000000001
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.86,2.48],
"number_observations_unique": 15822,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.5,2.86],
"number_observations_unique": 13404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.055999999999999994
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.94,3.50],
"number_observations_unique": 10364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040999999999999995
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [47.79,4.94],
"number_observations_unique": 5731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036000000000000004
},
{
"type": "R(meas)",
"value": 0.04
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}