Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "69118379ac5c898a443e9daa88a454fc",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 116.686,
"b": 64.567,
"c": 74.699,
"alpha": 90.00,
"beta": 126.03,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.810,1.970],
"number_observations": 118966,
"number_observations_unique": 31779,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.970],
"number_observations": 7622,
"number_observations_unique": 2113,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.662
},
{
"type": "R(meas)",
"value": 0.776
},
{
"type": "R(pim)",
"value": 0.399
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.748
}
]
},
{
"resolution_limits": [48.810,9.010],
"number_observations": 1284,
"number_observations_unique": 355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}