Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d4b15637b2f3b4c8d716ac0f18a81b9e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.989,
"b": 64.109,
"c": 74.537,
"alpha": 90.00,
"beta": 125.77,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.760,2.110],
"number_observations": 107030,
"number_observations_unique": 25898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.170,2.110],
"number_observations": 8254,
"number_observations_unique": 2044,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.639
},
{
"type": "R(meas)",
"value": 0.737
},
{
"type": "R(pim)",
"value": 0.363
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.792
}
]
},
{
"resolution_limits": [34.760,8.960],
"number_observations": 1331,
"number_observations_unique": 355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 34.700
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}