Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8278835f2566956c899d3466e603a024",
"space_group_name": "F 2 2 2",
"unit_cell": {
"a": 74.079,
"b": 128.663,
"c": 297.340,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.640,2.250],
"number_observations": 454329,
"number_observations_unique": 33745,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.320,2.250],
"number_observations": 36962,
"number_observations_unique": 2877,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.222
},
{
"type": "R(meas)",
"value": 1.271
},
{
"type": "R(pim)",
"value": 0.346
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.823
}
]
},
{
"resolution_limits": [48.640,9.000],
"number_observations": 7379,
"number_observations_unique": 593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 25.200
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}