Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e5ee958c18361e289029916284eaa6fc",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 87.155,
"b": 148.780,
"c": 172.756,
"alpha": 90.00,
"beta": 92.76,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.992,3.335],
"number_observations": 395021,
"number_observations_unique": 59588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [3.392,3.335],
"number_observations": 21351,
"number_observations_unique": 3209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.859
},
{
"type": "R(meas)",
"value": 0.932
},
{
"type": "R(pim)",
"value": 0.360
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.780
}
]
},
{
"resolution_limits": [47.992,9.033],
"number_observations": 18680,
"number_observations_unique": 3252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 22.500
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}