Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "76e73b75a67894d6dc15bb9bc6c129a0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.498,
"b": 77.528,
"c": 99.830,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [99.850,1.970],
"number_observations": 137050,
"number_observations_unique": 21914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "R(meas)",
"value": 0.195
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.970],
"number_observations": 10231,
"number_observations_unique": 1599,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.598
},
{
"type": "R(meas)",
"value": 1.740
},
{
"type": "R(pim)",
"value": 0.681
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.529
}
]
},
{
"resolution_limits": [99.850,8.810],
"number_observations": 1736,
"number_observations_unique": 308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 21.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
}
]
}