Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d338bf963c25df459af6a37b3de2c763",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.432,
"b": 143.775,
"c": 63.043,
"alpha": 90.00,
"beta": 99.83,
"gamma": 90.00
},
"wavelengths": [0.97914],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [71.890,2.060],
"number_observations": 146021,
"number_observations_unique": 59965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.180,2.060],
"number_observations": 22213,
"number_observations_unique": 8883,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.496
},
{
"type": "R(meas)",
"value": 0.619
},
{
"type": "R(pim)",
"value": 0.364
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.762
}
]
},
{
"resolution_limits": [71.890,6.530],
"number_observations": 4535,
"number_observations_unique": 1969,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 19.800
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}