Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "706a2e7b469212caea1afc17da4c095d",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 113.58,
"b": 113.58,
"c": 87.99,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97870],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.93,1.45],
"number_observations_unique": 224615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.08
},
{
"type": "R(meas)",
"value": 0.09
},
{
"type": "I/SigI",
"value": 10.01
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 9
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.54,1.45],
"number_observations_unique": 35634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.617
},
{
"type": "R(meas)",
"value": 0.703
},
{
"type": "CC(1/2)",
"value": 0.769
}
]
},
{
"resolution_limits": [1.64,1.54],
"number_observations_unique": 34365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.377
},
{
"type": "R(meas)",
"value": 0.425
},
{
"type": "CC(1/2)",
"value": 0.912
}
]
},
{
"resolution_limits": [1.77,1.64],
"number_observations_unique": 32063,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.22699999999999998
},
{
"type": "R(meas)",
"value": 0.256
},
{
"type": "CC(1/2)",
"value": 0.9640000000000001
}
]
},
{
"resolution_limits": [1.94,1.77],
"number_observations_unique": 29510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [2.17,1.94],
"number_observations_unique": 26509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.11
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.5,2.17],
"number_observations_unique": 23478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.07,2.50],
"number_observations_unique": 19661,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.07200000000000001
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "CC(1/2)",
"value": 0.9940000000000001
}
]
},
{
"resolution_limits": [4.33,3.07],
"number_observations_unique": 15110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.06
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [42.93,4.33],
"number_observations_unique": 8285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.054000000000000006
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}