Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e03bb3fe48b2d20dab2d844925fca941",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 67.431,
"b": 81.385,
"c": 157.138,
"alpha": 90.00,
"beta": 98.63,
"gamma": 90.00
},
"wavelengths": [1.85000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.330,2.500],
"number_observations": 772620,
"number_observations_unique": 58434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 17.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.570,2.500],
"number_observations": 56383,
"number_observations_unique": 4497,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.360
},
{
"type": "R(meas)",
"value": 1.418
},
{
"type": "R(pim)",
"value": 0.397
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.753
}
]
},
{
"resolution_limits": [47.330,10.900],
"number_observations": 9070,
"number_observations_unique": 752,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 71.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}