Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4ecaab1bd00c037148f343d01e68aece",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.951,
"b": 86.183,
"c": 126.899,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.770,1.720],
"number_observations": 355802,
"number_observations_unique": 54172,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 21.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.760,1.720],
"number_observations": 25424,
"number_observations_unique": 3908,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.787
},
{
"type": "R(meas)",
"value": 0.854
},
{
"type": "R(pim)",
"value": 0.328
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.758
}
]
},
{
"resolution_limits": [29.770,7.680],
"number_observations": 4331,
"number_observations_unique": 697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 65.600
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}