Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "30c4ad0a4735faf9fbcf5f6f257f71f8",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 132.896,
"b": 132.896,
"c": 399.105,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.80],
"number_observations": 796444,
"number_observations_unique": 101291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "R(meas)",
"value": 0.236
},
{
"type": "I/SigI",
"value": 9.530
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.9
}
]
},
"refln_shells": [
{
"resolution_limits": [2.970,2.800],
"number_observations": 128823,
"number_observations_unique": 16122,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.286
},
{
"type": "R(meas)",
"value": 1.373
},
{
"type": "I/SigI",
"value": 1.750
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [3.170,2.970],
"number_observations": 117835,
"number_observations_unique": 15230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.876
},
{
"type": "R(meas)",
"value": 0.938
},
{
"type": "I/SigI",
"value": 2.550
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.430,3.170],
"number_observations": 112131,
"number_observations_unique": 14191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.555
},
{
"type": "R(meas)",
"value": 0.593
},
{
"type": "I/SigI",
"value": 4.090
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.750,3.430],
"number_observations": 106291,
"number_observations_unique": 13077,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.339
},
{
"type": "R(meas)",
"value": 0.361
},
{
"type": "I/SigI",
"value": 6.810
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.190,3.750],
"number_observations": 92179,
"number_observations_unique": 11920,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "R(meas)",
"value": 0.210
},
{
"type": "I/SigI",
"value": 10.770
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [4.830,4.190],
"number_observations": 84704,
"number_observations_unique": 10557,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 16.050
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [5.900,4.830],
"number_observations": 70997,
"number_observations_unique": 8970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 16.780
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [8.280,5.900],
"number_observations": 53954,
"number_observations_unique": 7084,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 20.520
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [50.00,8.280],
"number_observations": 29530,
"number_observations_unique": 4140,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 38.070
},
{
"type": "Completeness",
"value": 97.500
}
]
}
]
}