Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "78aaaa5a7f04c71bd5265f31d2abf35e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 76.527,
"b": 127.915,
"c": 107.082,
"alpha": 90.0,
"beta": 108.9,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [101.308,2.000],
"number_observations_unique": 124962,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.000],
"number_observations": 52041,
"number_observations_unique": 18522,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.733
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [2.240,2.110],
"number_observations": 46284,
"number_observations_unique": 17173,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.530
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [2.390,2.240],
"number_observations": 47363,
"number_observations_unique": 16429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.367
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [2.580,2.390],
"number_observations": 44359,
"number_observations_unique": 15321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.251
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [2.830,2.580],
"number_observations": 39485,
"number_observations_unique": 13914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [3.160,2.830],
"number_observations": 36124,
"number_observations_unique": 12526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [3.650,3.160],
"number_observations": 32812,
"number_observations_unique": 11111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [4.470,3.650],
"number_observations": 25252,
"number_observations_unique": 9069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [6.320,4.470],
"number_observations": 21622,
"number_observations_unique": 7093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [39.274,6.320],
"number_observations": 11190,
"number_observations_unique": 3804,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 89.800
},
{
"type": "Redundancy",
"value": 2.900
}
]
}
]
}