Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "44a3a50921937bd5dd47cca866bec757",
"space_group_name": "P 4",
"unit_cell": {
"a": 118.349,
"b": 118.349,
"c": 44.089,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.830,2.000],
"number_observations_unique": 41341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 10903,
"number_observations_unique": 3000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.389
},
{
"type": "R(meas)",
"value": 0.452
},
{
"type": "R(pim)",
"value": 0.225
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.846
}
]
},
{
"resolution_limits": [83.690,8.940],
"number_observations": 1784,
"number_observations_unique": 514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}