Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "015bf90e5f192a0edb70ce4355197c13",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 48.410,
"b": 35.570,
"c": 73.563,
"alpha": 90.00,
"beta": 96.51,
"gamma": 90.00
},
"wavelengths": [0.97915],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.45,1.730],
"number_observations_unique": 13041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.760,1.730],
"number_observations": 3966,
"number_observations_unique": 710,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.819
},
{
"type": "R(meas)",
"value": 0.905
},
{
"type": "R(pim)",
"value": 0.377
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.772
}
]
},
{
"resolution_limits": [38.240,8.990],
"number_observations": 632,
"number_observations_unique": 106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 29.200
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.915
}
]
}
]
}