Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "70f7a0687a9ea2049ae2f1de7393bbfc",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 28.991,
"b": 59.658,
"c": 37.349,
"alpha": 90.00,
"beta": 98.62,
"gamma": 90.00
},
"wavelengths": [0.77490],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.400,1.430],
"number_observations": 72066,
"number_observations_unique": 22814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.460,1.430],
"number_observations": 3729,
"number_observations_unique": 1144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.429
},
{
"type": "R(meas)",
"value": 0.515
},
{
"type": "R(pim)",
"value": 0.281
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.903
}
]
},
{
"resolution_limits": [31.400,7.850],
"number_observations": 398,
"number_observations_unique": 143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 29.000
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}