Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7870dc52b87643d3c41ab3e0eed76198",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.652,
"b": 64.381,
"c": 74.404,
"alpha": 90.00,
"beta": 125.79,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.720,1.960],
"number_observations": 133909,
"number_observations_unique": 31835,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.960],
"number_observations": 9059,
"number_observations_unique": 2166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.725
},
{
"type": "R(meas)",
"value": 0.830
},
{
"type": "R(pim)",
"value": 0.400
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.830
}
]
},
{
"resolution_limits": [47.720,8.980],
"number_observations": 1281,
"number_observations_unique": 343,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 43.900
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}