Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "df527e936e540de1f3ce1f02fa321fa3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 48.045,
"b": 91.208,
"c": 90.696,
"alpha": 90.00,
"beta": 100.44,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.25,2.6],
"number_observations_unique": 23484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.191
},
{
"type": "I/SigI",
"value": 8.48
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 3.42
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [2.76,2.60],
"number_observations_unique": 3715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.882
},
{
"type": "R(meas)",
"value": 1.044
},
{
"type": "CC(1/2)",
"value": 0.638
}
]
},
{
"resolution_limits": [2.95,2.76],
"number_observations_unique": 3525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.623
},
{
"type": "R(meas)",
"value": 0.736
},
{
"type": "CC(1/2)",
"value": 0.7759999999999999
}
]
},
{
"resolution_limits": [3.18,2.95],
"number_observations_unique": 3293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.359
},
{
"type": "R(meas)",
"value": 0.425
},
{
"type": "CC(1/2)",
"value": 0.903
}
]
},
{
"resolution_limits": [3.48,3.18],
"number_observations_unique": 3065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "R(meas)",
"value": 0.268
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [3.89,3.48],
"number_observations_unique": 2758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [4.49,3.89],
"number_observations_unique": 2467,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.08
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [5.49,4.49],
"number_observations_unique": 2088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [7.71,5.49],
"number_observations_unique": 1631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.07200000000000001
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [47.25,7.71],
"number_observations_unique": 942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}