Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cb8fcb148735d89b34108eca2ea296e1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.766,
"b": 57.938,
"c": 114.514,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.3200,1.500],
"number_observations": 355492,
"number_observations_unique": 55987,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.500],
"number_observations": 25070,
"number_observations_unique": 4087,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.445
},
{
"type": "R(meas)",
"value": 1.579
},
{
"type": "R(pim)",
"value": 0.631
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.688
}
]
},
{
"resolution_limits": [57.900,6.710],
"number_observations": 4468,
"number_observations_unique": 738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 33.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}