Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1eca5055b8731e7fc012e8f49cc62875",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 65.461,
"b": 184.944,
"c": 71.578,
"alpha": 90.00,
"beta": 106.06,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.780,1.700],
"number_observations": 948793,
"number_observations_unique": 177420,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 34.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 41174,
"number_observations_unique": 8457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [68.780,9.310],
"number_observations": 5314,
"number_observations_unique": 1071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 58.900
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}