Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "58c21e3e172b264d7f922cb214c52f99",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 105.57,
"b": 105.57,
"c": 304.00,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.840,2.150],
"number_observations": 2352015,
"number_observations_unique": 93392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 21.500
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 25.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.210,2.150],
"number_observations": 187391,
"number_observations_unique": 6891,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.714
},
{
"type": "R(meas)",
"value": 1.746
},
{
"type": "R(pim)",
"value": 0.335
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.200
},
{
"type": "CC(1/2)",
"value": 0.810
}
]
},
{
"resolution_limits": [30.840,9.620],
"number_observations": 22646,
"number_observations_unique": 1205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 47.700
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 18.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}