Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "97953b09c0cdc42b68941ac07db440a5",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.83,
"b": 67.83,
"c": 167.27,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.070,1.900],
"number_observations": 169220,
"number_observations_unique": 18819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 10974,
"number_observations_unique": 1171,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.267
},
{
"type": "R(meas)",
"value": 1.341
},
{
"type": "R(pim)",
"value": 0.435
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.742
}
]
},
{
"resolution_limits": [34.070,9.110],
"number_observations": 1466,
"number_observations_unique": 235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 52.100
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}