Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "70f91e7eefa746777b23d106b44639ec",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.975,
"b": 64.196,
"c": 74.589,
"alpha": 90.00,
"beta": 125.84,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.820,2.140],
"number_observations": 103016,
"number_observations_unique": 24932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.200,2.140],
"number_observations": 8021,
"number_observations_unique": 1967,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.722
},
{
"type": "R(meas)",
"value": 0.832
},
{
"type": "R(pim)",
"value": 0.408
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.746
}
]
},
{
"resolution_limits": [47.820,9.070],
"number_observations": 1288,
"number_observations_unique": 343,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 32.500
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}