Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "deb2c261c0b6a11c1b83868820312eb5",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.846,
"b": 64.342,
"c": 74.634,
"alpha": 90.00,
"beta": 125.71,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.830,1.960],
"number_observations": 134271,
"number_observations_unique": 32497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.960],
"number_observations": 8884,
"number_observations_unique": 2197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.690
},
{
"type": "R(meas)",
"value": 0.795
},
{
"type": "R(pim)",
"value": 0.390
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.847
}
]
},
{
"resolution_limits": [34.830,8.980],
"number_observations": 1283,
"number_observations_unique": 344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 38.100
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}