Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "11a2f0b15db0f725a5ab8f343eac0317",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.240,
"b": 62.686,
"c": 74.333,
"alpha": 90.00,
"beta": 126.53,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.900,1.640],
"number_observations": 218917,
"number_observations_unique": 52545,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 18.100
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.670,1.640],
"number_observations": 9847,
"number_observations_unique": 2476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.670
},
{
"type": "R(meas)",
"value": 0.770
},
{
"type": "R(pim)",
"value": 0.375
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.721
}
]
},
{
"resolution_limits": [47.900,8.970],
"number_observations": 1183,
"number_observations_unique": 337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 56.400
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}