Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f78b53c234d79c77361f5ef99b90041b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 61.163,
"b": 96.526,
"c": 100.308,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.780,1.650],
"number_observations": 459398,
"number_observations_unique": 70593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.650],
"number_observations": 48559,
"number_observations_unique": 7236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.697
},
{
"type": "R(meas)",
"value": 0.754
},
{
"type": "R(pim)",
"value": 0.285
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.868
}
]
},
{
"resolution_limits": [19.780,6.170],
"number_observations": 8210,
"number_observations_unique": 1359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 26.700
},
{
"type": "Completeness",
"value": 89.500
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}