Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "f5fca3a1688b0ddcfc2784729d1a5a24",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.744,
"b": 88.744,
"c": 39.357,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.77488],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.370,0.940],
"number_observations": 1314380,
"number_observations_unique": 197830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 15.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [0.960,0.940],
"number_observations": 45236,
"number_observations_unique": 9062,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.088
},
{
"type": "R(meas)",
"value": 2.335
},
{
"type": "R(pim)",
"value": 1.022
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.367
}
]
},
{
"resolution_limits": [44.370,5.150],
"number_observations": 8831,
"number_observations_unique": 1306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 55.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}