Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "70ad9dd0d19f3257ebef7869d34b2600",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.374,
"b": 64.235,
"c": 74.436,
"alpha": 90.00,
"beta": 125.81,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.690,1.920],
"number_observations": 142229,
"number_observations_unique": 34399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.960,1.920],
"number_observations": 8972,
"number_observations_unique": 2201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.621
},
{
"type": "R(meas)",
"value": 0.714
},
{
"type": "R(pim)",
"value": 0.348
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.847
}
]
},
{
"resolution_limits": [34.690,8.990],
"number_observations": 1259,
"number_observations_unique": 344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 41.600
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}