Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "74bddc4f6b673ffd1403bcd3eaa891eb",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.481,
"b": 96.644,
"c": 57.978,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.990,1.790],
"number_observations": 139090,
"number_observations_unique": 21895,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.790],
"number_observations": 6449,
"number_observations_unique": 1090,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.096
},
{
"type": "R(meas)",
"value": 1.196
},
{
"type": "R(pim)",
"value": 0.472
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 84.400
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.746
}
]
},
{
"resolution_limits": [28.990,8.960],
"number_observations": 1272,
"number_observations_unique": 209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 47.500
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}