Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "596432550db18f3b5845022373c4a871",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.323,
"b": 96.598,
"c": 57.962,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.980,1.810],
"number_observations": 141795,
"number_observations_unique": 21531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 24.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.810],
"number_observations": 7229,
"number_observations_unique": 1188,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.732
},
{
"type": "R(meas)",
"value": 0.799
},
{
"type": "R(pim)",
"value": 0.314
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.855
}
]
},
{
"resolution_limits": [28.980,9.030],
"number_observations": 1221,
"number_observations_unique": 201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 85.400
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}