Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ad4adc4a2c50cdc742743b0e2e827e3f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.22,
"b": 73.36,
"c": 52.42,
"alpha": 90.00,
"beta": 109.16,
"gamma": 90.00
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.75,1.1],
"number_observations_unique": 129789,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 10.26
},
{
"type": "Completeness",
"value": 97.9
},
{
"type": "Redundancy",
"value": 4.37
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.16,1.10],
"number_observations_unique": 19819,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.088
},
{
"type": "R(meas)",
"value": 1.255
},
{
"type": "CC(1/2)",
"value": 0.487
}
]
},
{
"resolution_limits": [1.24,1.16],
"number_observations_unique": 19634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.715
},
{
"type": "R(meas)",
"value": 0.809
},
{
"type": "CC(1/2)",
"value": 0.715
}
]
},
{
"resolution_limits": [1.34,1.24],
"number_observations_unique": 18437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.474
},
{
"type": "R(meas)",
"value": 0.535
},
{
"type": "CC(1/2)",
"value": 0.861
}
]
},
{
"resolution_limits": [1.47,1.34],
"number_observations_unique": 17066,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.27
},
{
"type": "R(meas)",
"value": 0.307
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [1.64,1.47],
"number_observations_unique": 15504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [1.9,1.64],
"number_observations_unique": 13696,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.32,1.90],
"number_observations_unique": 11594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.28,2.32],
"number_observations_unique": 9017,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [42.75,3.28],
"number_observations_unique": 5022,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}