Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dc357af1e03cf66757fc83e72e256bea",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.595,
"b": 42.856,
"c": 79.435,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.455,1.720],
"number_observations_unique": 14500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.720],
"number_observations": 9341,
"number_observations_unique": 2056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.766
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [1.920,1.810],
"number_observations": 8983,
"number_observations_unique": 1972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.521
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.060,1.920],
"number_observations": 8441,
"number_observations_unique": 1834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.333
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.220,2.060],
"number_observations": 7987,
"number_observations_unique": 1725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.430,2.220],
"number_observations": 7391,
"number_observations_unique": 1598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.720,2.430],
"number_observations": 6855,
"number_observations_unique": 1475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [3.140,2.720],
"number_observations": 6042,
"number_observations_unique": 1302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [3.850,3.140],
"number_observations": 5200,
"number_observations_unique": 1132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [5.440,3.850],
"number_observations": 3987,
"number_observations_unique": 882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 16.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [19.455,5.440],
"number_observations": 2163,
"number_observations_unique": 524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.100
}
]
}
]
}