Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "51c5f3f2c120d6f83adcfd92cf986ddb",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 111.80,
"b": 27.37,
"c": 38.32,
"alpha": 90.0,
"beta": 96.2,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.570,1.050],
"number_observations": 107275,
"number_observations_unique": 40315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 15.800
},
{
"type": "Completeness",
"value": 75.600
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.080,1.050],
"number_observations": 370,
"number_observations_unique": 353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.672
},
{
"type": "R(meas)",
"value": 0.950
},
{
"type": "R(pim)",
"value": 0.672
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 9.200
},
{
"type": "Redundancy",
"value": 1.000
},
{
"type": "CC(1/2)",
"value": 0.597
}
]
},
{
"resolution_limits": [55.570,4.720],
"number_observations": 1917,
"number_observations_unique": 637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 35.400
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}