Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2c1ce004ba4ec584604b554837b359c8",
"space_group_name": "P 31",
"unit_cell": {
"a": 40.521,
"b": 40.521,
"c": 202.097,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.575,2.450],
"number_observations_unique": 27350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 18.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.550,2.450],
"number_observations": 9191,
"number_observations_unique": 1578,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.063
},
{
"type": "R(meas)",
"value": 1.167
},
{
"type": "R(pim)",
"value": 0.480
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.575
}
]
},
{
"resolution_limits": [34.570,8.830],
"number_observations": 1548,
"number_observations_unique": 293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 54.100
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}